CAS 21691-43-0 N-((Phenylmethoxy)carbonyl)norvaline (HCID 263473)

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Basic information

CAS: 21691-43-0
Standard SMILES: CCCC(NC(=O)OCc1ccccc1)C(=O)O
InChIKey: NSJDRLWFFAWSFP-UHFFFAOYSA-N
Molecular formula: C13H17NO4
Average molar mass: 251.28 g/mol

Names & identifiers

Preferred name: N-((Phenylmethoxy)carbonyl)norvaline
IUPAC: 2-(phenylmethoxycarbonylamino)pentanoic acid
English name: N-Carbobenzoxy-DL-norvaline
Molecular formula: C13H17NO4
Molecular weight: 251.28

Names & synonyms

21691-43-0RefChem:1090737N-((Phenylmethoxy)carbonyl)norvalineZ-DL-Nva-OHN-Carbobenzoxy-DL-norvalineN-[(Benzyloxy)carbonyl]norvalineZ-DL-norvaline2-(phenylmethoxycarbonylamino)pentanoic acidCbz-DL-norvalineMFCD00020434N-Cbz-dl-norvaline2-{[(benzyloxy)carbonyl]amino}pentanoic acid

Show more names

NSC 97947CBZ-DL-Nva-OHZ-DL-APE(2)-OHCarbobenzoxynorvalineZ-DL-NORVALINE extrapureZ-DL-2-AMINOVALERIC ACIDZ-DL-NHCH[CH3(CH2)2]-COOH

2-(((Benzyloxy)carbonyl)amino)pentanoic acidZ-L-norvalineDL-Norvaline, N-[(phenylmethoxy)carbonyl]-Z-L-alpha-aminovaleric acidZ-D-norvalineNSC97947Carbobenzyloxy-dl-norvalineNCIOpen2_006310

Database identifiers

CAS: 21691-43-0
PubChem CID: 263473

Properties

Computed structural properties

XLogP: 2.3
Topological polar surface area: 75.6 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 4
Rotatable bonds: 7
Heavy atoms: 18
Formal charge: 0
Complexity: 274

Physicochemical properties

Melting point: 88 °C · 88 °C
Boiling point: 439.4 · 439.4±38.0 °C(Predicted)
Density: 1.184 · 1.184±0.06 g/cm3(Predicted)
storage temp.: 2 · Storage temp. 2-8°C
solubility: almost transparency in Methanol
pka: 4 · 4.00±0.20(Predicted)
form: Powder
color: Off-white to white
CAS DataBase Reference: 21691 · 21691-43-0(CAS DataBase Reference)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302-H315-H319-H335
Precautionary statements: 261 · P261-P280-P301+P312-P302+P352-P305+P351+P338
WGK Germany: 3 · 3
HS Code: 2924297099 · 2924297099

Safety & regulation

Safety data

wgk: 3
hs_code: 2924297099
Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H302-H315-H319-H335
Precautionary statements: P261-P280-P301+P312-P302+P352-P305+P351+P338

Chemistry & industry

Applications

UsesN-Carbobenzoxy-DL-norvaline is a valine derivative[1].

Suppliers46 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]

Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

浙江珲达生物科技有限公司0571-89903022 18679456698 · [email protected]

Aladdin Scientific[email protected]

上海迈瑞尔生化科技有限公司4006356688 18621169109 · [email protected]

Related reactions

1 records

New reaction record

HRID 303398As productAs reactantTraining data from https://doi.org/10.1039/C8SC04228D (8/10)

Compound notes

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