BOC-L-Alanine benzyl ester

HCID 10972741
NotesReactions
Substructure searchFind similar structures

Basic information

CAS
51814-54-1
Standard SMILES
C[C@H](NC(=O)OC(C)(C)C)C(=O)OCc1ccccc1
InChIKey
KZNCFIIFMFCSHL-NSHDSACASA-N
Molecular formula
C15H21NO4
Average molar mass
279.33 g/mol
Monoisotopic mass
279.14705815

Names & identifiers

Preferred name
BOC-L-Alanine benzyl ester
IUPAC
benzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoate
English name
Boc-Ala-OBzl
Molecular formula
C15H21NO4
Molecular weight
279.33

Names & synonyms

BOC-L-Alanine benzyl ester51814-54-1DTXSID00450288RefChem:330039DTXCID90401108Boc-Ala-OBzlMFCD00190775N-Boc-L-alanine Benzyl Ester(S)-Benzyl 2-((tert-butoxycarbonyl)amino)propanoatebenzyl (2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoateBenzyl (tert-butoxycarbonyl)-L-alaninateBoc-L-Alaninebenzylester
Show more names
Boc-L-Ala-OBzlBoc-L-Ala-Obzl-OHBOC-ALA-OBZL USP/EP/BPBoc-L-Alanine benzyl ester,95%N-Boc-L-alanine benzyl ester, 98%tert-Butoxycarbonyl-L-alanine benzyl esterbenzyl N-(tert-butoxycarbonyl)-L-alaninate
BOC-L-ALANINE BENZYLESTERBoc-Ala-OBnbenzyl (2S)-2-{[(tert-butoxy)carbonyl]amino}propanoateSCHEMBL7512116KZNCFIIFMFCSHL-NSHDSACASA-NAKOS015839305AKOS015920044CS-W022604

Database identifiers

CAS
51814-54-1
PubChem CID
10972741
DTXSID
DTXSID00450288
Nikkaji
J1.604.044D

Properties

Computed structural properties

XLogP
2.7
Topological polar surface area
64.6 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
7
Heavy atoms
20

Physicochemical properties

Melting point
25.5 · 25.5-26℃ (ligroine )
Boiling point
392.7 · 392.7±25.0 °C(Predicted)
Density
1.099 · 1.099±0.06 g/cm3(Predicted)
storage temp.
2 · 2-8°C
form
26 °C · 26°C Liquid
pka
11.19 · 11.19±0.46(Predicted)

Safety & regulation

Safety data

Signal word
Warning
Symbol(GHS)
GHS07
Hazard statements
H302-H315-H319-H401
Precautionary statements
P501-P273-P270-P264-P280-P302+P352-P337+P313-P305+P351+P338-P362+P364-P332+P313-P301+P312+P330

Chemistry & industry

Applications

UsesBoc-L-Alanine benzyl ester is an alanine derivative[1].

Upstream & downstream products

Suppliers52 total

北京华美互利生物化工010-56205725 · [email protected]
上海麦克林生化科技股份有限公司021-50706066 15221275939 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
Aladdin Scientific[email protected]
郑州德元凯化工有限公司17837139533 · [email protected]

Related reactions

2 records
New reaction record

Compound notes

Loading…