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Compound Summary for CID 62885

Amphetamine Phosphate Cite this Record

STRUCTURE VENDORS LITERATURE PATENTS

PubChem CID: 62885

Amphetamine phosphate; Profetamine; Acetmin; Actemin; Aktedron; Amphate

Chemical Names:
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Molecular Formula: C9H16NO4P

Molecular Weight: 233.204 g/mol

InChI Key: ZHVLGOLHHYJSBZ-UHFFFAOYSA-N

PUBCHEM COMPOUND AMPHETAMINE PHOSPHATE Modify Date: 2018-04-28; Create Date: 2005-08-08
 Contents
1 2D Structure

2 3D Status

3 Names and Identifiers

4 Chemical and Physical Properties

5 Related Records

6 Chemical Vendors

7 Literature

8 Patents

9 Classification

10 Information Sources
1 2D Structure
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from PubChem
2 3D Status
Conformer generation is disallowed since mixture or salt
from PubChem
3 Names and Identifiers

3.1 Computed Descriptors

3.1.1 IUPAC Name

1-phenylpropan-2-amine;phosphoric acid
from PubChem

3.1.2 InChI

InChI=1S/C9H13N.H3O4P/c1-8(10)7-9-5-3-2-4-6-9;1-5(2,3)4/h2-6,8H,7,10H2,1H3;(H3,1,2,3,4)
from PubChem

3.1.3 InChI Key

ZHVLGOLHHYJSBZ-UHFFFAOYSA-N
from PubChem

3.1.4 Canonical SMILES

CC(CC1=CC=CC=C1)N.OP(=O)(O)O
from PubChem

3.2 Molecular Formula

C9H16NO4P
from PubChem

3.3 Other Identifiers

3.3.1 CAS

139-10-6
from ChemIDplus, European Chemicals Agency - ECHA

3.3.2 EC Number

205-353-6
from European Chemicals Agency - ECHA
3.3.3 Wikipedia

Title amphetamine phosphate

Description chemical compound

from Wikipedia

3.4 Synonyms

3.4.1 Depositor-Supplied Synonyms

b. Amphetamine phosphate bb. Bar-Dex cb. Phenethylamine, a

c. Profetamine bc. Amphetane phosphate cc. (1)-alpha-Methylp
d. Acetmin bd. Profetamine phosphate cd. AC1L1XZD
e. Actemin be. EINECS 205-353-6 ce. SCHEMBL113682
f. Aktedron bf. 1-Phenyl-2-aminopropane monophosphate cf. ADDERALL; PHOS
g. Amphate bg. Monobasic racemic amphetamine phosphate cg. ZHVLGOLHHYJSB
h. Depualone bh. Phenethylamine, alpha-methyl-, phosphate, dl- ch. 1-phenylpropan-2
i. Dynaphenil bi. alpha-Methylphenethylamine phosphate, dl-mixture ci. 1-phenylpropan-2
j. Monophos bj. Monobasic dl-alpha-methylphenethylamine phosphate cj. LS-103666
bk. Obesitabs ck. 139-10-6

from PubChem
4 Chemical and Physical Properties

4.1 Computed Properties

Property Name Property Value

Molecular Weight 233.204 g/mol

Hydrogen Bond Donor Count 4

Hydrogen Bond Acceptor Count 5

Rotatable Bond Count 2

Complexity 135

CACTVS Substructure Key Fingerprint
AAADceByOAIAAAAAAAAAAAAAAAAAAAAAAAAw
AAAAAAAAAAABAAAAHAAQCCAADCjBGAQyAIBA
ABCAQiBCAIACAAAgAAAIiIAAAIgIICKAkRGAIAAgk
AAIiAcQgIAOAAAAAAAAAAAAAAAAAAAAAAAAAA
AAAA==

Topological Polar Surface Area 104 A^2

Monoisotopic Mass 233.082 g/mol

Exact Mass 233.082 g/mol

Compound Is Canonicalized true

Formal Charge 0

Heavy Atom Count 15

Defined Atom Stereocenter Count 0

Undefined Atom Stereocenter Count 1

Defined Bond Stereocenter Count 0

Undefined Bond Stereocenter Count 0

Isotope Atom Count 0

Covalently-Bonded Unit Count 2

from PubChem

4.2 Spectral Properties

4.2.1 1D NMR Spectra

1D NMR Spectra: 1 of 1 (1H NMR Spectra)

Instrument Name Varian A-60

Source of Sample Smith, Kline and French Laboratories, Philadelphia, Pennsylvania

Copyright Copyright © 2009-2018 Bio-Rad Laboratories, Inc. All Rights Reserved.

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from SpectraBase
5 Related Records

5.1 Related Compounds with Annotation

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from PubChem

5.2 Related Compounds

Same Connectivity 3 records

Mixtures, Components, and

2 records
Neutralized Forms

Similar Compounds 163 records

from PubChem

5.3 Substances

5.3.1 Related Substances

Same 15 records

from PubChem

5.3.2 Substances by Category

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6 Chemical Vendors

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from PubChem
7 Literature

7.1 Springer Nature References

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from Springer Nature

7.2 Chemical Co-Occurrences in Literature

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View More Chemical-Chemical Co-Occurrences and Evidence for Amphetamine Phosphate

from PubChem
8 Patents

8.1 Depositor-Supplied Patent Identifiers

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from PubChem
9 Classification

9.1 Ontologies

9.1.1 WIPO IPC

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from WIPO

9.1.2 ChemIDplus

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from ChemIDplus
10 Information Sources
b. ChemIDplus /source/ChemIDplus
Amphetamine phosphate
https://chem.nlm.nih.gov/chemidplus/sid/0000139106 https://chem.nlm.nih.gov/chemidplus/sid/0000139106
ChemIDplus Chemical Information Classification
https://chem.sis.nlm.nih.gov/chemidplus/chemidheavy.jsp
https://chem.sis.nlm.nih.gov/chemidplus/chemidheavy.jsp

c. European Chemicals Agency - ECHA /source/European Chemicals Agency - ECHA

(±)-α-methylphenethylammonium dihydrogen phosphate
https://www.echa.europa.eu https://www.echa.europa.eu

d. SpectraBase /source/SpectraBase
https://spectrabase.com/compound/J5MjN8W26ZE#5tauje8Xshl
https://spectrabase.com/compound/J5MjN8W26ZE#5tauje8Xshl

e. Springer Nature /source/Springer Nature

amphetamine phosphate
https://pubchem.ncbi.nlm.nih.gov/substance/341191528
https://pubchem.ncbi.nlm.nih.gov/substance/341191528

f. Wikipedia /source/Wikipedia
amphetamine phosphate
https://www.wikidata.org/wiki/Q27251770 https://www.wikidata.org/wiki/Q27251770

g. PubChem
Data deposited in or computed by PubChem
https://pubchem.ncbi.nlm.nih.gov https://pubchem.ncbi.nlm.nih.gov

h. WIPO /source/WIPO
International Patent Classification
http://www.wipo.int/classifications/ipc/ http://www.wipo.int/classifications/ipc/