methyl 2-aminohexanoate hydrochloride

• ChemBase ID: 104443
• Molecular Formular: C7H16ClNO2
• Molecular Mass: 181.66044
• Monoisotopic Mass: 181.08695644
• SMILES: Cl.CCCCC(N)C(=O)OC
• Canonical SMILES: CCCCC(C(=O)OC)N.Cl
• InChI: InChI=1S/C7H15NO2.ClH/c1-3-4-5-6(8)7(9)10-2;/h6H,3-5,8H2,1-2H3;1H
• InChIKey: FMMOVZRXLNVNBI-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: methyl 2-aminohexanoate hydrochloride
• IUPAC Traditional name: methyl 2-aminohexanoate hydrochloride
• Synonyms: DL-Norleucine methyl ester hydrochloride; DL-NORLEUCINE METHYL ESTER

Database IDs

• CAS Number: 77300-48-2
• MDL Number: MFCD00058296
• PubChem SID: 162091050; 24897802
• PubChem CID: 14039064

CALCULATED PROPERTIES

• H Acceptors: 2
• H Donor: 1
• LogD (pH = 5.5): -0.89428884
• LogD (pH = 7.4): 0.6790063
• Log P: 0.97884244
• Molar Refractivity: 38.9924 cm^3
• Polarizability: 15.9186325 Å^3
• Polar Surface Area: 52.32 Å^2
• Rotatable Bonds: 5
• Lipinski's Rule of Five: true

PROPERTIES

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

DETAILS

MP Biomedicals - 02155953

Hydrochloride Crystalline

Sigma Aldrich - N7002

Biochem/physiol Actions
DL-Norleucine methyl ester hydrochloride is a neurotransmitter commonly used as an internal standard.