(alphaR)-2,4-Dichloro-alpha-methylbenzenemethanamine

HCID 2496565
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Basic information

CAS
133773-29-2
Standard SMILES
C[C@@H](N)c1ccc(Cl)cc1Cl
InChIKey
OUVZHZAOWDHBOU-RXMQYKEDSA-N
Molecular formula
C8H9Cl2N
Average molar mass
190.07 g/mol
Monoisotopic mass
189.01120465

Names & identifiers

Preferred name
(alphaR)-2,4-Dichloro-alpha-methylbenzenemethanamine
IUPAC
(1R)-1-(2,4-dichlorophenyl)ethanamine
English name
(R)-1-(2,4-Dichlorophenyl)ethanamine
Molecular formula
C8H9Cl2N
Molecular weight
190.07

Names & synonyms

133773-29-2RefChem:1050788(alphaR)-2,4-Dichloro-alpha-methylbenzenemethanamine(R)-1-(2,4-dichlorophenyl)ethanamine(1R)-1-(2,4-dichlorophenyl)ethanamine(R)-1-(2,4-Dichlorophenyl)ethan-1-amine(1R)-1-(2,4-dichlorophenyl)ethan-1-amine(1R)-1-(2,4-Dichlorophenyl)ethylamineMFCD06761788DTXSID00368819AKOS010367115(IR)-1-(2,4-dichlorophenyl)ethanamine
Show more names
EOS-60919(R)-1-(2,4-chlorophenyl)ethanaMineBenzenemethanamine, 2,4-dichloro-α-methyl-, (αR)-
CS-0099787EN300-54536(1R)-1-(2,4-Dichlorophenyl)ethanamine HydrochlorideSCHEMBL3899828SCHEMBL29723016AS-40013SY240177DB-300005

Database identifiers

CAS
133773-29-2
PubChem CID
2496565
DTXSID
DTXSID00368819
EC Number
603-763-3
Nikkaji
J1.646.189J

Properties

Computed structural properties

XLogP
2.4
Topological polar surface area
26 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
1
Heavy atoms
11

Physicochemical properties

Boiling point
256.4 · 256.4±25.0 °C(Predicted)
Density
1.262 · 1.262±0.06 g/cm3(Predicted)
storage temp.
Keep in dark place,Inert atmosphere,Room temperature
pka
8.28 · 8.28±0.10(Predicted)
form
liquid
color
Colourless

Safety & regulation

Safety data

hs_code
2921490090
Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H335
Precautionary statements
P261-P305+P351+P338

Chemistry & industry

Upstream & downstream products

Suppliers65 total

上海康恩博医药科技有限公司17510465506 · [email protected]
上海凌富药物研究有限公司+86(21)5895 0110 19945755304 · [email protected]
陕西缔都新材料有限公司81124267 17392282731 · [email protected]
毕佳索（上海毕得医药科技股份有限公司）400-6005915 · [email protected]
咸宁深蓝生物医药研发有限公司18171815831 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

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