Home > Compound List > Compound details
5557-83-5 molecular structure
click picture or here to close

benzyl 2-aminopropanoate hydrochloride

ChemBase ID: 133198
Molecular Formular: C10H14ClNO2
Molecular Mass: 215.67666
Monoisotopic Mass: 215.07130637
SMILES and InChIs

SMILES:
CC(C(=O)OCc1ccccc1)N.Cl
Canonical SMILES:
CC(C(=O)OCc1ccccc1)N.Cl
InChI:
InChI=1S/C10H13NO2.ClH/c1-8(11)10(12)13-7-9-5-3-2-4-6-9;/h2-6,8H,7,11H2,1H3;1H
InChIKey:
RLMHWGDKMJIEHH-UHFFFAOYSA-N

Cite this record

CBID:133198 http://www.chembase.cn/molecule-133198.html

Collapse All Expand All

NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
benzyl 2-aminopropanoate hydrochloride
IUPAC Traditional name
benzyl 2-aminopropanoate hydrochloride
Synonyms
L-Alanine benzyl ester hydrochloride
L-丙氨酸苄基酯 盐酸盐
CAS Number
5557-83-5
EC Number
226-920-4
MDL Number
MFCD00054340
PubChem SID
162227475
24891287
PubChem CID
12210891

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID Price
Sigma Aldrich
A7877 external link Add to cart Please log in.
Data Source Data ID
PubChem 12210891 external link

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -0.5267084  LogD (pH = 7.4) 1.0203846 
Log P 1.2916559  Molar Refractivity 49.879 cm3
Polarizability 19.978762 Å3 Polar Surface Area 52.32 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Safety Information Bioassay(PubChem)
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
Storage Temperature
-20°C expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

From Suppliers Google Scholar IconGoogle Scholar PubMed iconPubMed Google Books IconGoogle Books
    No data available
  • Searching...Please wait...

PATENTS

PATENTS

PubChem iconPubChem Patent Google Patent Search IconGoogle Patent

INTERNET

INTERNET

Baidu iconBaidu google iconGoogle