Methyl 2-(benzylamino)propanoate

HCID 426249
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Basic information

CAS
159721-22-9
Standard SMILES
COC(=O)C(C)NCc1ccccc1
InChIKey
HIVDOHPKFIBYPZ-UHFFFAOYSA-N
Molecular formula
C11H15NO2
Average molar mass
193.24 g/mol

Names & identifiers

Preferred name
Methyl 2-(benzylamino)propanoate
IUPAC
methyl 2-(benzylamino)propanoate
English name
N-Benzylalanine methyl ester
Molecular formula
C11H15NO2
Molecular weight
193.24

Names & synonyms

methyl 2-(benzylamino)propanoateRefChem:813638865-021-7N-alpha-Benzyl-L-alanine methyl esterMethyl benzylalaninateSCHEMBL106075JGA72122MFCD12783678AKOS009072076(S)-methyl 2-(benzylamino)-propionateAB66346EN300-204804
Show more names
methyl(2S)-2-(benzylamino)propanoate2-(Benzylamino)propanoate methyl esterAlanine,N-(phenylmethyl)-, methyl ester
F576736Z727800518

Database identifiers

CAS
159721-22-9
PubChem CID
426249
EC Number
865-021-7
Nikkaji
J1.774.063F

Properties

Computed structural properties

XLogP
1.6
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
5
Heavy atoms
14

Physicochemical properties

Boiling point
130 · 130-133 °C(Press: 10 Torr)
Density
1.047 · 1.047±0.06 g/cm3(Predicted)
pka
6.48 · 6.48±0.19(Predicted)
Symbol(GHS)
7 · GHS07,GHS05
Signal word
Danger
Hazard statements
318 · H318-H335-H302-H315

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]

P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.

Hazard information

Hazard Classes and CategoriesAcute Tox. 4 (100%)

Safety data

Signal word
Danger
Symbol(GHS)
GHS07,GHS05
Hazard statements
H318-H335-H302-H315
Precautionary statements
P280-P305+P351+P338-P310-P264-P270-P301+P312-P330-P501-P264-P280-P302+P352-P321-P332+P313-P362

Chemistry & industry

Upstream & downstream products

Suppliers9 total

上海敏寒医药科技有限公司17612188245 · [email protected]
砌块化学科技（上海）有限公司021-20432219 13918097649 · [email protected]
合肥钼凯医药科技有限公司18130062233 · [email protected]
江苏艾康生物医药研发有限公司025-58859352 19370895928 · [email protected]
上海玉函化工有限公司021-61469567 13774476675 · [email protected]

Related reactions

7 records
New reaction record

Compound notes

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