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5411-22-3 molecular structure
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benzyl(methyl)[(2S)-1-phenylpropan-2-yl]amine hydrochloride

ChemBase ID: 132222
Molecular Formular: C17H22ClN
Molecular Mass: 275.81628
Monoisotopic Mass: 275.14407739
SMILES and InChIs

SMILES:
C[C@@H](Cc1ccccc1)N(C)Cc1ccccc1.Cl
Canonical SMILES:
CN([C@H](Cc1ccccc1)C)Cc1ccccc1.Cl
InChI:
InChI=1S/C17H21N.ClH/c1-15(13-16-9-5-3-6-10-16)18(2)14-17-11-7-4-8-12-17;/h3-12,15H,13-14H2,1-2H3;1H/t15-;/m0./s1
InChIKey:
ANFSNXAXVLRZCG-RSAXXLAASA-N

Cite this record

CBID:132222 http://www.chembase.cn/molecule-132222.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl(methyl)[(2S)-1-phenylpropan-2-yl]amine hydrochloride
IUPAC Traditional name
benzphetamine hydrochloride
Synonyms
(αS)-N,α-Dimethyl-N-(phenylmethyl)benzeneethanamine Hydrochloride
(+)-N-Benzyl-N,α-dimethylphenethylamine Hydrochloride
(+)-Benzphetamine Hydrochloride
Benzphetamine Hydrochloride
Didrex
Inapetyl
NSC 10937
U-0441
d-Benzphetamine Hydrochloride
(S)-Benzphetamine Hydrochloride
N-Benzyl-N,α-dimethylphenethylamine hydrochloride
Benzphetamine hydrochloride
苄非他明 盐酸盐
CAS Number
5411-22-3
EC Number
226-489-2
MDL Number
MFCD00058090
PubChem SID
162226499
24892064
PubChem CID
11558159

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 11558159 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
Rotatable Bonds Lipinski's Rule of Five true 
H Acceptors H Donor
LogD (pH = 5.5) 0.90645355  LogD (pH = 7.4) 1.9718962 
Log P 4.344352  Molar Refractivity 78.3871 cm3
Polarizability 30.702745 Å3 Polar Surface Area 3.24 Å2

PROPERTIES

PROPERTIES

Safety Information Product Information Bioassay(PubChem)
RTECS
SG9625000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2811 expand Show data source
MSDS Link
Download expand Show data source
German water hazard class
3 expand Show data source
Hazard Class
6.1 expand Show data source
Packing Group
3 expand Show data source
Risk Statements
63-23/24/25 expand Show data source
Safety Statements
22-36/37/39-45 expand Show data source
GHS Pictograms
GHS06 expand Show data source
GHS08 expand Show data source
GHS Signal Word
Danger expand Show data source
GHS Hazard statements
H301-H311-H331-H361 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face particle respirator type N100 (US), Gloves, respirator cartridge type N100 (US), type P1 (EN143) respirator filter, type P3 (EN 143) respirator cartridges expand Show data source
RID/ADR
UN 2811 6.1/PG 3 expand Show data source
Drug Control
USDEA Schedule III; Home Office Schedule 3; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source
Certificate of Analysis
Download expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich TRC TRC
Sigma Aldrich - B8263 external link
Biochem/physiol Actions
Adrenergic receptor agonist; CNS stimulant.
Toronto Research Chemicals - B209875 external link
The S-enantiomer of Benzphetamine (B209880). Controlled substance (stimulant). Anorexic.

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
  • • Stewart, J.T., et al.: J. Pharma. Sci., 60, 461 (1971)
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PATENTS

PATENTS

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INTERNET

INTERNET

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