H-Beta-ala-otbu hcl

C₇H₁₆ClNO₂CAS 58620-93-2181.66 g/mol

Open in Covalent MOL file

Ester Primary amine

Properties

Molecular formula: C₇H₁₆ClNO₂
Molar mass: 181.66 g/mol
Exact mass: 181.0870 Da
logP: 1.10Crippen estimate
Polar surface area: 52.3 Å²
H-bond donors / acceptors: 1 / 3
Rotatable bonds: 2

Hazards

Warning

H315 Causes skin irritation66.7% of notifiers
H319 Causes serious eye irritation66.7% of notifiers
H335 May cause respiratory irritation66.7% of notifiers

Aggregated from 3 ECHA notifications, via PubChem; a share says how many notifiers assign that statement.

Precautionary statements

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, P501

Identifiers

CAS number

58620-93-2

SMILES

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

InChIKey

DOMTZTVJNZKUNX-UHFFFAOYSA-N

InChI

InChI=1S/C7H15NO2.ClH/c1-7(2,3)10-6(9)4-5-8;/h4-5,8H2,1-3H3;1H

Weigh it out

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

Names and synonyms

1 names

tert-Butyl 3-aminopropanoate hydrochloride

Work with H-Beta-ala-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-Gamma-abu-otbu hcl58640-01-080 % similar Glycine tert-butyl ester hydrochloride27532-96-367 % similar Amino-peg1-T-butyl ester1260092-46-364 % similar tert-Butyl 12-amino-4 7 10-trioxa-dodeca252881-74-662 % similar tert-Butyl 1-Amino-3,6,9,12-tetraoxapentadecan-15-oate581065-95-462 % similar 1,1-Dimethylethyl 3-[2-(2-aminoethoxy)ethoxy]propanoate756525-95-862 % similar H2N-Peg8-tbu756526-06-462 % similar Methyl 3-aminopropionate hydrochloride3196-73-458 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

tert-Butyl alaninate hydrochloride13404-22-3 (S)-Valine ethyl ester hydrochloride17609-47-1 Methyl isoleucinate hydrochloride18598-74-8 L-Beta-homoisoleucine hydrochloride219310-10-8 (±)-Valine ethyl ester hydrochloride23358-42-1 N-Me-val-ome hcl3339-44-4 L-Norvaline, ethyl ester, hydrochloride (1:1)40918-51-2 Sarcosine t-butyl ester hydrochloride5616-81-9

Elsewhere

PubChem CAS Common Chemistry NIST WebBook