CAS 121505-93-9 tert-Butyl (2-(methoxy(methyl)amino)-2-oxoethyl)carbamate (HCID 4428209)

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Basic information

CAS: 121505-93-9
Standard SMILES: CON(C)C(=O)CNC(=O)OC(C)(C)C
InChIKey: XJVZHKXGDQXSNT-UHFFFAOYSA-N
Molecular formula: C9H18N2O4
Average molar mass: 218.25 g/mol
Monoisotopic mass: 218.12665706

Overview

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Names & identifiers

Preferred name: tert-Butyl (2-(methoxy(methyl)amino)-2-oxoethyl)carbamate
IUPAC: tert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamate
English name: BOC-GLYCINE N,O-DIMETHYLHYDROXAMIDE
Molecular formula: C9H18N2O4
Molecular weight: 218.25

Names & synonyms

tert-Butyl (2-(methoxy(methyl)amino)-2-oxoethyl)carbamatetert-butyl {2-[methoxy(methyl)amino]-2-oxoethyl}carbamateDTXSID40403192RefChem:1099483DTXCID10354046121505-93-9Boc-Gly-N(OMe)Metert-butyl N-[2-[methoxy(methyl)amino]-2-oxoethyl]carbamateN-Boc-glycine N'-methoxy-N'-methylamideMFCD00674101tert-butyl N-{[methoxy(methyl)carbamoyl]methyl}carbamateN-(tert-Butoxycarbonyl)glycine N'-methoxy-N'-methylamide

Show more names

Boc-Gly-N(OMe)Glycine Impurity 106(Tert-Butoxy)Carbonyl Gly-N(OMe)MeBOC-GLYCINE N,O-DIMETHYLHYDROXAMIDE USP/EP/BP

2-(Boc-amino)-N-methoxy-N-methylacetamideBOC-GLY-NMEOMEN-alpha-Boc-glycine-N-methyl-N-methoxy amideSB31846EN300-194540t-butyl (2-(methoxy(methyl)amino)-2-oxoethyl)carbamateBOC-GLY-NME(OME)Boc-glycine N,O-dimethylhydroxamide

Database identifiers

Properties

Computed structural properties

XLogP: 0.5
Topological polar surface area: 67.9 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 4
Rotatable bonds: 5
Heavy atoms: 15
Formal charge: 0
Complexity: 235

Physicochemical properties

Melting point: 100 · 100-104 °C(lit.)
Density: 1.09 · 1.090±0.06 g/cm3(Predicted)
storage temp.: Keep in dark place,Sealed in dry,Room Temperature
solubility: Chloroform (Slightly), Methanol (Slightly)
form: Solid
pka: 11.03 · 11.03±0.46(Predicted)
color: White to Off-White
Major Application: peptide synthesis
InChI: InChI=1S/C9H18N2O4/c1-9(2,3)15-8(13)10-6-7(12)11(4)14-5/h6H2,1-5H3,(H,10,13)
InChIKey: XJVZHKXGDQXSNT-UHFFFAOYSA-N
SMILES: C(OC(C)(C)C)(=O)NCC(N(OC)C)=O
UNSPSC Code: 12352209 · 12352209
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 319 · H319-H315-H335

Safety & regulation

Safety data

wgk: 3
hs_code: 2924190090
Signal word: Warning
Symbol(GHS): GHS07
Storage Class: 11 - Combustible Solids
Hazard statements: H319-H315-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P264-P280-P305+P351+P338-P337+P313P