H-Ile-nh2 hcl

C6H15ClN2OCAS 10466-56-5166.65 g/mol

Open in Covalent MOL file
ONH2NH2HCl
AmidePrimary amine

Properties

Molecular formula
C6H15ClN2O
Molar mass
166.65 g/mol
Exact mass
166.0873 Da
logP
0.27Crippen estimate
Polar surface area
69.1 Ų
H-bond donors / acceptors
2 / 2
Rotatable bonds
3
Stereocentres
S, Sin SMILES atom order

Hazards

Warning
Irritant (GHS07)

Aggregated from the 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
10466-56-5
SMILES
CC[C@H](C)[C@@H](C(=O)N)N.Cl
InChIKey
SAOZPTBFWAEJQL-FHAQVOQBSA-N
InChI
InChI=1S/C6H14N2O.ClH/c1-3-4(2)5(7)6(8)9;/h4-5H,3,7H2,1-2H3,(H2,8,9);1H/t4-,5-;/m0./s1

Weigh it out

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

Names and synonyms

1 names
  • (2S,3S)-2-Amino-3-methylpentanamide hydrochloride

Work with H-Ile-nh2 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

Methyl isoleucinate hydrochloride18598-74-858 % similar (2R)-2-Amino-3-methylbutanamide hydrochloride133170-58-858 % similar H-Val-nh2 hcl3014-80-058 % similar Ethyl 2-amino-3-methylvalerate hydrochloride56782-52-657 % similar L-Isoleucine tert-butyl ester hydrochloride69320-89-454 % similar L-Alloisoleucine1509-34-853 % similar D-Alloisoleucine1509-35-953 % similar D-Isoleucine319-78-853 % similar

Tanimoto similarity of circular fingerprints over the whole catalogue.

All similar compounds

Same formula

Leucinamide hydrochloride10466-61-2 L-tert-Leucinamide hydrochloride75158-12-2 (R)-2-Amino-4-methylpentanamide hydrochloride80970-09-8

Elsewhere

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