N-tert-Butylglycine

HCID 414246

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Basic information

CAS: 58482-93-2
Standard SMILES: CC(C)(C)NCC(=O)O
InChIKey: TXHAHOVNFDVCCC-UHFFFAOYSA-N
Molecular formula: C6H13NO2
Average molar mass: 131.17 g/mol

Names & identifiers

Preferred name: N-tert-Butylglycine
IUPAC: 2-(tert-butylamino)acetic acid
English name: N-t-Butylglycine sodium salt
Molecular formula: C6H13NO2
Molecular weight: 131.17

Names & synonyms

2-(tert-butylamino)acetic acid58482-93-2N-TERT-BUTYLGLYCINEt-butylaminoacetic acidTigecycline (m1)Glycine, N-(1,1-dimethylethyl)-UNII-C38H031Q86C38H031Q86RefChem:164245N-t-Butylglycine sodium saltN-(1,1-Dimethylethyl)-glycineMFCD01318413

Show more names

N-t-Butyl Glycine2-(tert-Butylamino)aceticaciN-tert-butylglycine USP/EP/BPN-T-BUTYLGLYCINE SODIUM SALT USP/EP/BP

Sodium (tert-butylamino)acetateN-tert-Butylglycine sodium saltN-t-Butylglycinesodium salttert-Butylamino-acetic acidtertbutyl glycineN-t-butylglycinetert-butyl glycineN-t-butyl-glycine

Database identifiers

CAS: 58482-93-2
PubChem CID: 414246
UNII: C38H031Q86
Nikkaji: J3.691.073I

Properties

Computed structural properties

XLogP: -1.9
Topological polar surface area: 49.3 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 3
Rotatable bonds: 3
Heavy atoms: 9
Formal charge: 0
Complexity: 104

Physicochemical properties

Boiling point: 206.9 · 206.9±23.0 °C(Predicted)
Density: 1 · 1.000±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 2.37 · 2.37±0.10(Predicted)
FDA UNII: 38 H031Q86 · C38H031Q86
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 264 · P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501

Safety & regulation

Safety data

Signal word: Warning
Symbol(GHS): GHS07
Hazard statements: H315-H319-H335
Precautionary statements: P264-P280-P302+P352-P321-P332+P313-P362-P305+P351+P338-P337+P313-P261-P271-P304+P340-P312-P403+P233-P405-P501