H-Val-nh2 hcl

C₅H₁₃ClN₂OCAS 3014-80-0152.62 g/mol

Open in Covalent MOL file

Amide Primary amine

Properties

Molecular formula: C₅H₁₃ClN₂O
Molar mass: 152.62 g/mol
Exact mass: 152.0716 Da
logP: -0.12Crippen estimate
Polar surface area: 69.1 Å²
H-bond donors / acceptors: 2 / 2
Rotatable bonds: 2
Stereocentres: Sin SMILES atom order

Hazards

Warning

H315 Causes skin irritation100% of notifiers
H319 Causes serious eye irritation100% of notifiers
H335 May cause respiratory irritation100% of notifiers

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

3014-80-0

SMILES

CC(C)[C@@H](C(=O)N)N.Cl

InChIKey

XFCNYSGKNAWXFL-WCCKRBBISA-N

InChI

InChI=1S/C5H12N2O.ClH/c1-3(2)4(6)5(7)8;/h3-4H,6H2,1-2H3,(H2,7,8);1H/t4-;/m0./s1

Weigh it out

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

Work with H-Val-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

Stereoisomers, salts and isotopologues

The same compound in another form: other stereochemistry, a salt or hydrate, the free acid or base, or an isotope-labelled version.

(2R)-2-Amino-3-methylbutanamide hydrochloride133170-58-8Enantiomer

Similar compounds

H-Ile-nh2 hcl10466-56-558 % similar (2R)-2-Aminopropanamide hydrochloride71810-97-458 % similar Methyl D-valinate hydrochloride21685-47-252 % similar Methyl DL-valinate hydrochloride5619-05-652 % similar Methyl L-valinate hydrochloride6306-52-152 % similar Methyl D-valinate hydrochloride7146-15-852 % similar tert-Butyl (2S)-2-amino-3-methylbutanoate hydrochloride13518-40-647 % similar (S)-Valine ethyl ester hydrochloride17609-47-147 % similar

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

Same formula

(Tetrahydro-pyran-4-yl)-hydrazine hydrochloride194543-22-1

Elsewhere

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