N-tert-Butylglycine hydrochloride

C₆H₁₄ClNO₂CAS 6939-23-7167.63 g/mol

Open in Covalent MOL file

Carboxylic acid Secondary amine

Properties

Molecular formula: C₆H₁₄ClNO₂
Molar mass: 167.63 g/mol
Exact mass: 167.0713 Da
logP: 0.88Crippen estimate
Polar surface area: 49.3 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2

Hazards

Danger

H302 Harmful if swallowed14.3% of notifiers
H311 Toxic in contact with skin14.3% of notifiers
H314 Causes severe skin burns and eye damage14.3% of notifiers
H315 Causes skin irritation42.9% of notifiers
H318 Causes serious eye damage14.3% of notifiers
H319 Causes serious eye irritation71.4% of notifiers
H335 May cause respiratory irritation28.6% of notifiers

Aggregated from 7 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P260, P261, P262, P264, P264+P265, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P351+P338, P305+P354+P338, P316, P317, P319, P321, P330, P332+P317, P337+P317, P361+P364, P362+P364, P363, P403+P233, P405, P501

Identifiers

CAS number

6939-23-7

SMILES

CC(C)(C)NCC(=O)O.Cl

InChIKey

QORBVLNEGUIPND-UHFFFAOYSA-N

InChI

InChI=1S/C6H13NO2.ClH/c1-6(2,3)7-4-5(8)9;/h7H,4H2,1-3H3,(H,8,9);1H

Weigh it out

Type any one amount. The others follow from the molar mass.

Names and synonyms

4 names

Glycine, N-(1,1-dimethylethyl)-, hydrochloride (1:1)
Glycine, N-(1,1-dimethylethyl)-, hydrochloride
Glycine, N-tert-butyl-, hydrochloride
2-(tert-Butylamino)acetic acid hydrochloride

Work with N-tert-Butylglycine hydrochloride

Predict the NMR spectrum1H and 13C shifts with multiplicities Make a solutionWhat to weigh for any molarity and volume Check drug-likenessLipinski, Veber and lead-likeness Isotope patternExact mass and the mass spectrum pattern

Similar compounds

N-Methylglycine hydrochloride637-96-757 % similar Tricine5704-04-152 % similar Sarcosine107-97-146 % similar Iminodiacetic acid142-73-446 % similar Ethylenediaminediacetic acid5657-17-043 % similar Trt-gly-oh5893-05-043 % similar Dimethylglycine hydrochloride2491-06-742 % similar 3,3-Dimethylbutanoic acid1070-83-341 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Ethyl α-aminoisobutyrate hydrochloride17288-15-2 Methyl D-valinate hydrochloride21685-47-2 Glycine tert-butyl ester hydrochloride27532-96-3 Methyl 5-aminopentanoate hydrochloride29840-56-0 L-Alanine isopropyl ester hydrochloride39825-33-7 Methyl DL-valinate hydrochloride5619-05-6 L-Alanine isopropyl ester hydrochloride62062-65-1 Methyl L-valinate hydrochloride6306-52-1

Elsewhere

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