Pentanamide, 2-Amino-4-Methyl-N-2-Naphthalenyl-, Hydrochloride (1:1), (2S)-

CAS: 893-36-7 | C16H21ClN2O

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CAS Registry Number: 893-36-7

Molecular Formula: C16H21ClN2O

Molecular Mass: 292.81 g/mol

Pentanamide, 2-Amino-4-Methyl-N-2-Naphthalenyl-, Hydrochloride (1:1), (2S)-

Pentanamide, 2-amino-4-methyl-N-2-naphthalenyl-, hydrochloride (1:1), (2S)-

Valeramide, 2-amino-4-methyl-N-2-naphthyl-, monohydrochloride, (S)-

Pentanamide, 2-amino-4-methyl-N-2-naphthalenyl-, monohydrochloride, (S)-

Pentanamide, 2-amino-4-methyl-N-2-naphthalenyl-, monohydrochloride, (2S)-

Leucine-2-naphthylamide hydrochloride

CC(C)C[C@H](N)C(O)=Nc1ccc2ccccc2c1.Cl

InChI=1S/C16H20N2O.ClH/c1-11(2)9-15(17)16(19)18-14-8-7-12-5-3-4-6-13(12)10-14;/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19);1H/t15-;/m0./s1

NMR, IR, and Mass spectral data

1H NMR

13C NMR

Predicting NMR spectra...

10 ppm 9 8 7 6 5 4 3 2 1 0 ppm

Shift (ppm)	Multiplicity	Integration	Assignment

200 ppm 180 160 140 120 100 80 60 40 20 0 ppm

Shift (ppm)	DEPT	Assignment

Note: These NMR spectra are predicted computationally and may differ from experimental data. Predictions are based on chemical environment analysis.

Comprehensive physical and chemical properties

Property	Value	Source
Molecular Mass	292.81 g/mol	CAS Common Chemistry
	292.13424097200004 g/mol	RDKit
Canonical SMILES	Cl.O=C(NC=1C=CC=2C=CC=CC2C1)C(N)CC(C)C	CAS Common Chemistry
InChI	InChI=1S/C16H20N2O.ClH/c1-11(2)9-15(17)16(19)18-14-8-7-12-5-3-4-6-13(12)10-14;/h3-8,10-11,15H,9,17H2,1-2H3,(H,18,19);1H/t15-;/m0./s1	CAS Common Chemistry
InChI Key	InChIKey=HTHKKWZMEVJWQF-RSAXXLAASA-N	CAS Common Chemistry
Name	Pentanamide, 2-amino-4-methyl-N-2-naphthalenyl-, hydrochloride (1:1), (2S)-	CAS Common Chemistry
Heavy Atom Count	20	RDKit
Hydrogen Bond Acceptors	2	RDKit
Hydrogen Bond Donors	2	RDKit
Rotatable Bonds	4	RDKit
Aromatic Ring Count	2	RDKit
Topological Polar Surface Area	58.61 Å²	RDKit
LogP	4.223000000000003	RDKit
Molar Refractivity	88.35020000000004	RDKit