Benzyl L-alaninate hydrochloride

HCID 437645

Notes Reactions

Substructure search Find similar structures

Basic information

CAS: 46229-47-4
Standard SMILES: CC(N)C(=O)OCc1ccccc1
InChIKey: YGYLYUIRSJSFJS-UHFFFAOYSA-N
Molecular formula: C10H13NO2
Average molar mass: 179.22 g/mol
Monoisotopic mass: 179.09462866

Names & identifiers

Preferred name: Benzyl L-alaninate hydrochloride
IUPAC: benzyl 2-aminopropanoate
English name: DL-Alanine-OBzl p-tosylate
Molecular formula: C10H13NO2
Molecular weight: 179.22

Names & synonyms

Benzyl L-alaninate HClEINECS 226-920-4NSC 523831RefChem:566760226-920-4Benzyl L-alaninate hydrochloridebenzyl 2-aminopropanoatebenzyl alaninateDL-ALANINE-OBZL P-TOSYLATEL-alanine benzyl esterd,l-alanine benzyl esterMaybridge3_000436

Show more names

DL-Ala-OBzlDL-Ala-obzl.TosH-DL-Ala-OBzl·TOSH-DL-ALA-OBZL TOS-OHH-DL-ALA-OBZL P-TOSYLATEDL-ALANINE BENZYL ESTER P-TOSYLATEDL-ALANINE-OBZL P-TOSYLATE USP/EP/BPDL-ALANINE BENZYL ESTER P-TOLUENESULFONATE

SCHEMBL728752SCHEMBL6036394SCHEMBL8392561SCHEMBL27327716DTXSID60866104YGYLYUIRSJSFJS-UHFFFAOYSA-N2-amino propanoic acid benzyl esterAKOS010530906

Database identifiers

CAS: 46229-47-4、5557-83-5
PubChem CID: 437645
DTXSID: DTXSID60866104
EC Number: 226-920-4
Nikkaji: J1.181.305D

Properties

Computed structural properties

XLogP: 1.1
Topological polar surface area: 52.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 3
Rotatable bonds: 4
Heavy atoms: 13
Formal charge: 0
Complexity: 164

Physicochemical properties

Boiling point: 256.5 · 256.5±15.0 °C(Predicted)
Density: 1.1 · 1.100±0.06 g/cm3(Predicted)
storage temp.: Store at RT.
pka: 7.77 · 7.77±0.29(Predicted)

Safety & regulation

GHS classification

GHS ClassificationNot Classified

Hazard information

Hazard Classes and CategoriesNot Classified

Chemistry & industry

Suppliers20 total

宁波亿诺化学品有限公司86-574-27787657 · [email protected]

Hangzhou Sage Chemical Co., Ltd.+86057186818502 13588463833 · [email protected]

梯希爱（上海）化工贸易有限公司021-61109150 · [email protected]

上海瀚鸿科技股份有限公司021-54306202 13764082696 · [email protected]

凯试(上海)科技有限公司021-50135380 · [email protected]

Related reactions

23 records

New reaction record

HRID 114475As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 119580As reactantTraining data from https://doi.org/10.1039/C8SC04228D (2/10)

HRID 136064As reactantTraining data from https://doi.org/10.1039/C8SC04228D (9/10)

HRID 189085As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 191616As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 209674As productTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 209874As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

HRID 212358As reactantTraining data from https://doi.org/10.1039/C8SC04228D (6/10)

Compound notes

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