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Amphetamine

CAS: 300-62-9 | C9H13N

2D Structure

3D Structure

Loading 3D structure...

Basic Information

CAS Registry Number: 300-62-9
Molecular Formula: C9H13N
Molecular Weight: 135.20999999999998 g/mol

Names and Synonyms:

Amphetamine
Anorexine
(±)-Desoxynorephedrine
Benzedrine
Benzeneethanamine, α-methyl-
Phenethylamine, α-methyl-, (±)-
Benzeneethanamine, α-methyl-, (±)-
α-Methylbenzeneethanamine
Actedron
Adipan
Allodene
Amphetamine
Elastonon
Isoamyne
Isomyn
Mecodrin
(±)-α-Methylphenethylamine
Norephedrane
Ortedrine
Phenedrine
Profamina
Propisamine
Raphetamine
Simpatedrin
Sympamine
Sympatedrine
Weckamine
Finam
dl-α-Methylphenethylamine
(±)-β-Phenylisopropylamine
β-Aminopropylbenzene
Novydrine
Rhinalator
Oktedrin
Simpatina
Percomon
Benzebar
Benzolone
(±)-α-Methylphenylethylamine
(±)-Phenylisopropylamine
Obesin
Obesine
Amfetamine
(±)-1-Phenyl-2-aminopropane
Racemic amphetamine
Desoxynorephedrine
Fenopromin
1-Phenyl-2-aminopropane
2-Amino-1-phenylpropane
α-Methylphenethylamine
β-Phenylisopropylamine
α-Methylphenylethylamine
1-Methyl-2-phenylethylamine
1-Phenyl-2-propylamine
3-Phenyl-2-propylamine
α-Methyl-β-phenylethylamine
Phenamine
Adderall
1-Phenyl-2-propanamine
1-Benzylethylamine
SLI 381
Adderall XR
NSC 27159
3-Phenylpropan-2-amine

Identifiers:

SMILES:
CC(N)Cc1ccccc1
InChI:
InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3

Spectral Data

NMR, IR, and Mass spectral data

1H NMR
13C NMR
Predicting NMR spectra...
10 ppm 9 8 7 6 5 4 3 2 1 0 ppm
Shift (ppm) Multiplicity Integration Assignment
200 ppm 180 160 140 120 100 80 60 40 20 0 ppm
Shift (ppm) DEPT Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

External Resources

All Properties

Comprehensive physical and chemical properties

Physical Properties

Property Value Source
cas-density 0.913 g/cm3 @ Temp: 25 °C None Legacy Database
cas-inchi InChI=1S/C9H13N/c1-8(10)7-9-5-3-2-4-6-9/h2-6,8H,7,10H2,1H3 None Legacy Database
cas-inchi-key InChIKey=KWTSXDURSIMDCE-UHFFFAOYSA-N None Legacy Database
cas-melting-point 146 °C None Legacy Database
cas-name Amphetamine None Legacy Database
LogP 1.5763 RDKit
molecular_mass 135.21 g/mol Legacy Database
density 0.91 g/cm³ Legacy Database
cas-boiling-point 200-203 °C @ Press: 760 Torr None Legacy Database
cas-canonical-smile NC(C)CC=1C=CC=CC1 None Legacy Database

Molecular

Property Value Source
Molecular Weight 135.20999999999998 g/mol RDKit

Exact

Property Value Source
Exact Molecular Weight 135.104799416 g/mol RDKit

Heavy

Property Value Source
Heavy Atom Count 10 count RDKit

Hydrogen

Property Value Source
Hydrogen Bond Acceptors 1 count RDKit
Hydrogen Bond Donors 1 count RDKit

Rotatable

Property Value Source
Rotatable Bonds 2 count RDKit

Aromatic

Property Value Source
Aromatic Ring Count 1 count RDKit

Topological

Property Value Source
Topological Polar Surface Area 26.02 Ų RDKit

Molar

Property Value Source
Molar Refractivity 43.79540000000002 RDKit

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