N-Carbobenzoxysarcosine

HCID 97053CAS 39608-31-6

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Basic information

Standard SMILES: CN(CC(=O)O)C(=O)OCc1ccccc1
InChIKey: CBWFTZNMONHKNZ-UHFFFAOYSA-N
Molecular formula: C11H13NO4
Average molar mass: 223.22 g/mol
Monoisotopic mass: 223.0844579

Names & identifiers

Preferred name: N-Carbobenzoxysarcosine
IUPAC: 2-[methyl(phenylmethoxycarbonyl)amino]acetic acid
English name: Z-Sar-OH
Molecular formula: C11H13NO4
Molecular weight: 223.23

Names & synonyms

39608-31-6Cbz-Sar-OHglycine, N-methyl-N-[(phenylmethoxy)carbonyl]-N-(Benzyloxycarbonyl)sarcosine(Carbobenzoxy)sarcosineN-(Carbobenzoxy)sarcosine(Benzyloxycarbonyl)sarcosineN-[(benzyloxy)carbonyl]-N-methylglycineN-CarbobenzoxysarcosineN-Methyl-N-((phenylmethoxy)carbonyl)glycineNSC 97943Glycine, N-methyl-N-((phenylmethoxy)carbonyl)-

Show more names

Cbz-SarZ-Sar-OHZ-MEGLY-OHZ-SARCOSINECbz-L-Sar-OHCbz-sarcosineZ-N-ME-GLY-OHN-Cbz-sarcosineZ-N-METHYLGLYCINE

T3ZZ4C081JN-((Benzyloxy)carbonyl)-N-methylglycineN-Methyl-N-[(phenylmethoxy)carbonyl]glycineNSC-97943DTXSID2068187N-(Phenylmethoxycarbonyl)sarcosinen-benzyloxycarbonyl-n-methylglycineSARCOSINE,N-BENZYLOXYCARBONYL

Database identifiers

CAS: 39608-31-6
PubChem CID: 97053
DTXSID: DTXSID2068187
UNII: T3ZZ4C081J
Nikkaji: J308.251B

Properties

Computed structural properties

XLogP: 1.8
Topological polar surface area: 66.8 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 16
Formal charge: 0
Complexity: 248

Physicochemical properties

Melting point: 58 · 58-59℃
Boiling point: 385.6 · 385.6±31.0 °C(Predicted)
Density: 1.26 · 1.26
storage temp.: -20 °C · Sealed in dry,Store in freezer, under -20°C
solubility: soluble in Methanol
form: powder to crystal
pka: 4.01 · 4.01±0.10(Predicted)
color: White to Light yellow
FDA UNII: 3 ZZ4C081J · T3ZZ4C081J
EPA Substance Registry System: Glycine, N-methyl-N-[(phenylmethoxy)carbonyl]- (39608-31-6)
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 302 · H302
Precautionary statements: 264 · P264-P270-P301+P312-P330
Hazard Codes: Xn
Risk Statements: 22 · 22-51
TSCA: TSCA listed
HS Code: 2924.29 · 2924.29.7790