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33817-09-3 molecular structure
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methyl[(2R)-1-phenylpropan-2-yl]amine

ChemBase ID: 130758
Molecular Formular: C10H15N
Molecular Mass: 149.2328
Monoisotopic Mass: 149.12044949
SMILES and InChIs

SMILES:
C[C@H](Cc1ccccc1)NC
Canonical SMILES:
CN[C@@H](Cc1ccccc1)C
InChI:
InChI=1S/C10H15N/c1-9(11-2)8-10-6-4-3-5-7-10/h3-7,9,11H,8H2,1-2H3/t9-/m1/s1
InChIKey:
MYWUZJCMWCOHBA-SECBINFHSA-N

Cite this record

CBID:130758 http://www.chembase.cn/molecule-130758.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
methyl[(2R)-1-phenylpropan-2-yl]amine
IUPAC Traditional name
(-)-methamphetamine
Synonyms
(-)-Deoxyephedrine
(-)-1-苯基-2-甲氨基丙烷
(-)-甲基苯丙胺
(-)-去氧麻黄碱
CAS Number
33817-09-3
EC Number
251-687-0
MDL Number
MFCD00135973
PubChem SID
162225036
24894050
PubChem CID
36604

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
D6787 external link Add to cart Please log in.
Data Source Data ID
PubChem 36604 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.9906569  LogD (pH = 7.4) -0.43709657 
Log P 2.236831  Molar Refractivity 48.4798 cm3
Polarizability 19.21153 Å3 Polar Surface Area 12.03 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
RTECS
SH4905000 expand Show data source
European Hazard Symbols
Toxic Toxic (T) expand Show data source
UN Number
2810 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
63-23/24/25-36 expand Show data source
Safety Statements
26-36/37-45 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-H319-H331-H361 expand Show data source
GHS Precautionary statements
P261-P280-P301 + P310-P305 + P351 + P338-P311 expand Show data source
Personal Protective Equipment
Eyeshields, Faceshields, full-face respirator (US), Gloves, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter expand Show data source
RID/ADR
UN 2810 6.1/PG 3 expand Show data source
Drug Control
USDEA Schedule II; Home Office Schedule 2; stupéfiant; kontrollierte Droge in Deutschland; regulated under CDSA - not available from Sigma-Aldrich Canada expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - D6787 external link
Other Notes
甲基苯丙胺的低活性异构体

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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