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64715-81-7 molecular structure
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(2S)-1-methoxy-3-phenylpropan-2-amine hydrochloride

ChemBase ID: 149173
Molecular Formular: C10H16ClNO
Molecular Mass: 201.69314
Monoisotopic Mass: 201.09204182
SMILES and InChIs

SMILES:
COC[C@H](Cc1ccccc1)N.Cl
Canonical SMILES:
COC[C@H](Cc1ccccc1)N.Cl
InChI:
InChI=1S/C10H15NO.ClH/c1-12-8-10(11)7-9-5-3-2-4-6-9;/h2-6,10H,7-8,11H2,1H3;1H/t10-;/m0./s1
InChIKey:
FTMKEFCCBFJBJI-PPHPATTJSA-N

Cite this record

CBID:149173 http://www.chembase.cn/molecule-149173.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
(2S)-1-methoxy-3-phenylpropan-2-amine hydrochloride
IUPAC Traditional name
(2S)-1-methoxy-3-phenylpropan-2-amine hydrochloride
Synonyms
(S)-(+)-1-Methoxy-3-phenyl-2-propylamine hydrochloride
(+)-O-Methyl-L-phenylalaninol hydrochloride
(S)-(+)-1-Methoxy-3-phenyl-2-propylamine hydrochloride
(S)-(+)-2-Amino-1-methoxy-3-phenylpropane hydrochloride
(S)-(+)-α-(Methoxymethyl)phenethylamine hydrochloride
(S)-(+)-1-甲氧基-3-苯基-2-丙胺 盐酸盐
(+)-O-甲基-L-苯丙氨醇 盐酸盐
(S)-(+)-1-甲氧基-3-苯基-2-丙胺 盐酸盐
(S)-(+)-2-氨基-1-甲氧基-3-苯丙烷 盐酸盐
(S)-(+)-α-(甲氧基甲基)苯乙胺 盐酸盐
CAS Number
64715-81-7
MDL Number
MFCD00043238
Beilstein Number
5139125
PubChem SID
24869533
162243341
24846169
PubChem CID
16211128

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
PubChem 16211128 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -1.5645138  LogD (pH = 7.4) -0.47645572 
Log P 1.400467  Molar Refractivity 50.0001 cm3
Polarizability 19.853256 Å3 Polar Surface Area 35.25 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Physical Property Safety Information Product Information Bioassay(PubChem)
Melting Point
149-151 °C expand Show data source
149-151 °C(lit.) expand Show data source
Optical Rotation
[α]20/D +20±2°, c = 2.5% in ethanol expand Show data source
[α]20/D +20°, c = 2.5 in ethanol expand Show data source
MSDS Link
Download expand Show data source
Download expand Show data source
German water hazard class
3 expand Show data source
Personal Protective Equipment
Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter expand Show data source
Purity
≥98.0% (AT) expand Show data source
98% expand Show data source
Grade
purum expand Show data source
Linear Formula
C6H5CH2CH(CH2OCH3)NH2·HCl expand Show data source
Empirical Formula (Hill Notation)
C10H15NO · HCl expand Show data source

DETAILS

DETAILS

Sigma Aldrich Sigma Aldrich
Sigma Aldrich - 459275 external link
Packaging
1, 5 g in glass bottle
Sigma Aldrich - 08399 external link
Other Notes
Chiral amine as auxiliary reagent for an asymmetric synthesis of α-alkyl and α,α-dialkyl cyclic ketones1,2

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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