H-Gamma-abu-otbu hcl

C₈H₁₈ClNO₂CAS 58640-01-0195.69 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₈H₁₈ClNO₂
Molar mass: 195.69 g/mol
Exact mass: 195.1026 Da
logP: 1.49Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 3

Hazards

No GHS classification is on file for this compound. That is not evidence that it is harmless. Search the SDS library

Identifiers

CAS number

58640-01-0

SMILES

CC(C)(C)OC(=O)CCCN.Cl

InChIKey

CZVNLCOJFFYZPG-UHFFFAOYSA-N

InChI

InChI=1S/C8H17NO2.ClH/c1-8(2,3)11-7(10)5-4-6-9;/h4-6,9H2,1-3H3;1H

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 4-aminobutanoate hydrochloride

Work with H-Gamma-abu-otbu hcl

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

H-Beta-ala-otbu hcl58620-93-280 % similar Glycine tert-butyl ester hydrochloride27532-96-363 % similar Methyl 4-aminobutyrate hydrochloride13031-60-261 % similar Amino-peg1-T-butyl ester1260092-46-360 % similar tert-Butyl 12-amino-4 7 10-trioxa-dodeca252881-74-658 % similar tert-Butyl 1-Amino-3,6,9,12-tetraoxapentadecan-15-oate581065-95-458 % similar 1,1-Dimethylethyl 3-[2-(2-aminoethoxy)ethoxy]propanoate756525-95-858 % similar H2N-Peg8-tbu756526-06-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue. All similar compounds

Same formula

N-Me-ala-otbu hcl103614-40-0 Carpronium chloride13254-33-6 Leucine ethyl ester hydrochloride2743-40-0 Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-6 Glycine hexyl ester75980-28-8 tert-Butyl 2-amino-2-methylpropanoate hydrochloride84758-81-6

Elsewhere

PubChem CAS Common Chemistry NIST WebBook