Phenylmethyl N-(2-amino-2-oxoethyl)carbamate

HCID 70366

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Basic information

CAS: 949-90-6
Standard SMILES: NC(=O)CNC(=O)OCc1ccccc1
InChIKey: HQYMUNCIMNFLDT-UHFFFAOYSA-N
Molecular formula: C10H12N2O3
Average molar mass: 208.21 g/mol
Monoisotopic mass: 208.08479225

Names & identifiers

Preferred name: Phenylmethyl N-(2-amino-2-oxoethyl)carbamate
IUPAC: benzyl N-(2-amino-2-oxoethyl)carbamate
English name: Z-GLY-NH2
Molecular formula: C10H12N2O3
Molecular weight: 208.21

Names & synonyms

949-90-6Benzyl carbamoylmethylcarbamate6NLL3GNH3PNSC-88477RefChem:1095056Phenylmethyl N-(2-amino-2-oxoethyl)carbamate213-445-2Z-Gly-NH2benzyl (2-amino-2-oxoethyl)carbamateMFCD00042825benzyl N-(2-amino-2-oxoethyl)carbamateZ-glycine amide

Show more names

CB Z-Gly-NH2Z-GLYCINE-NH2CBZ-GLYCINE AMIDECbz-DL-glycinamideZ-GLY-NH2 USP/EP/BP

Z-Gly-NHZ-glycinamideN-BenzyloxycarbonylglycinamideN-(carbamoylmethyl)(phenylmethoxy)carboxamideN-(Benzyloxycarbonyl)glycinamideZ-Gly-NH?benzyl N-(carbamoylmethyl)carbamateCBZ-Glyamide

Database identifiers

CAS: 949-90-6
PubChem CID: 70366
DTXSID: DTXSID90915230
ChEMBL: CHEMBL431275
UNII: 6NLL3GNH3P
EC Number: 213-445-2
Nikkaji: J298.554C

Properties

Computed structural properties

XLogP: 0.4
Topological polar surface area: 81.4 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 225

Physicochemical properties

Melting point: 136 · 136-139 °C
Boiling point: 447.1 · 447.1±38.0 °C(Predicted)
Density: 1.236 · 1.236±0.06 g/cm3(Predicted)
storage temp.: 2 · Sealed in dry,2-8°C
solubility: Soluble in Chloroform,Dichloromethane,Ethyl Acetate,DMSO,Acetone,etc.
form: Powder
pka: 11.8 · 11.80±0.46(Predicted)
Appearance: White to off-white Solid
Sensitive: Hygroscopic
BRN: 2054564 · 2054564
Major Application: peptide synthesis
InChI: 1S/C10H12N2O3/c11-9(13)6-12-10(14)15-7-8-4-2-1-3-5-8/h1-5H,6-7H2,(H2,11,13)(H,12,14)
InChIKey: HQYMUNCIMNFLDT-UHFFFAOYSA-N
SMILES: NC(=O)CNC(=O)OCc1ccccc1
CAS DataBase Reference: 949 · 949-90-6(CAS DataBase Reference)
FDA UNII: 6 NLL3GNH3P · 6NLL3GNH3P
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 6 · GHS06,GHS08,GHS09
Signal word: Warning
Hazard statements: 227 · H227
Precautionary statements: 501 · P501-P210-P280-P370+P378-P403+P235
PPE: 95 · Eyeshields, Gloves, type N95 (US)
Hazard Codes: Xi
Safety Statements: 22 · 22-24/25
WGK Germany: 3 · 3
Hazard Note: Irritant
Storage Class: 11 · 11 - Combustible Solids

Safety & regulation

Safety information is for reference only and does not replace the supplier’s Safety Data Sheet (SDS), applicable regulations, or professional assessment.

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
Signal word: Warning
Symbol(GHS): GHS06,GHS08,GHS09
hazard_code: Xi
hazard_note: Irritant
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H227
Precautionary statements: P501-P210-P280-P370+P378-P403+P235

Chemistry & industry

Applications

Usespeptide synthesis

Upstream & downstream products

Upstream raw materials

Downstream products

N-BENZYLOXYCARBONYLGLYCINE THIOAMIDE Ethanimidic acid, 2-[[(phenylmethoxy)carbonyl]amino]-, ethyl ester

Suppliers94 total

北京华美互利生物化工010-56205725 · [email protected]

衢州润东化工有限公司0570-8789886 18892685668 · [email protected]

上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]

武汉贺景行生物科技有限公司027-13277920701 13277920701 · [email protected]

江苏生康迈翔科技有限公司18217475093 · [email protected]

Related reactions

3 records

New reaction record

HRID 445397As reactantuspto-grants-2013_07

HRID 960623As reactantValidation data from https://doi.org/10.1039/C8SC04228D

HRID 1459152As productuspto-grants-1998_12

Compound notes

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