Ethyl 2-(benzylamino)propanoate

HCID 222273
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Basic information

CAS
54159-18-1
Standard SMILES
CCOC(=O)C(C)NCc1ccccc1
InChIKey
QDBFFNIUCGDMQN-UHFFFAOYSA-N
Molecular formula
C12H17NO2
Average molar mass
207.27 g/mol
Monoisotopic mass
207.12592878

Names & identifiers

Preferred name
Ethyl 2-(benzylamino)propanoate
IUPAC
ethyl 2-(benzylamino)propanoate
English name
Ethyl 2-(benzylamino)propanoate
Molecular formula
C12H17NO2
Molecular weight
207.27

Names & synonyms

ethyl 2-(benzylamino)propanoate54159-18-1DTXSID40278529ethyl 2-[benzylamino]propanoateRefChem:342481DTXCID90229687Ethyl benzylalaninate64892-53-1MFCD00026881ethyl n-benzylalaninateNSC7998Alanine, N-(phenylmethyl)-, ethyl ester
Show more names
(S)-Ethyl 2-(benzylamino)propanoateL-Alanine, N-(phenylmethyl)-, ethyl ester
SCHEMBL1878484QDBFFNIUCGDMQN-UHFFFAOYSA-NNSC-7998SBB093904AKOS0091592912-Benzylamino-propionic acid ethyl esterDA-34435SY381511

Database identifiers

CAS
54159-18-1
PubChem CID
222273
DTXSID
DTXSID40278529

Properties

Computed structural properties

XLogP
2
Topological polar surface area
38.3 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
15

Physicochemical properties

Boiling point
85.6 °C · 85.6 °C(Press: 0.2 Torr)
Density
1.031 · 1.031±0.06 g/cm3(Predicted)
pka
6.86 · 6.86±0.19(Predicted)
Hazard Codes
Xi
Hazard Note
Irritant

Safety & regulation

Safety data

hazard_code
Xi
hazard_note
Irritant

Chemistry & industry

Suppliers8 total

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
上海隆盛化工有限公司58099637 13585536065 · [email protected]
Aceschem Inc.+1-817863-6948 +1-（817）863-6948 · [email protected]
武汉泰凯塞科技有限公司027-86697669 13986148687 · [email protected]
杭州洁汉化工有限公司+86-571-86217390; +8618058761490 · [email protected]

Related reactions

19 records
New reaction record

Compound notes

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