(2S)-2-methylbutan-1-amine

• ChemBase ID: 148975
• Molecular Formular: C5H13N
• Molecular Mass: 87.16342
• Monoisotopic Mass: 87.10479942
• SMILES: CC[C@H](C)CN
• Canonical SMILES: CC[C@@H](CN)C
• InChI: InChI=1S/C5H13N/c1-3-5(2)4-6/h5H,3-4,6H2,1-2H3/t5-/m0/s1
• InChIKey: VJROPLWGFCORRM-YFKPBYRVSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: (2S)-2-methylbutan-1-amine
• IUPAC Traditional name: (2S)-2-methylbutan-1-amine
• Synonyms: (S)-(-)-1-Amino-2-methylbutane; (S)-(-)-2-Methylbutylamine; (S)-1-Amino-2-methylbutane; (S)-(-)-2-Methyl-1-butylamine; (S)-(-)-2-甲基丁胺; (S)-1-氨基-2-甲基丁烷; (S)-(-)-2-甲基-1-丁胺

Database IDs

• CAS Number: 34985-37-0
• EC Number: 252-307-6
• MDL Number: MFCD00064430
• Beilstein Number: 1718807
• PubChem SID: 162243145; 24854481; 24884530
• PubChem CID: 2724272

CALCULATED PROPERTIES

• H Acceptors: 1
• H Donor: 1
• LogD (pH = 5.5): -1.9610455
• LogD (pH = 7.4): -1.5551931
• Log P: 1.063413
• Molar Refractivity: 28.264 cm^3
• Polarizability: 11.495053 Å^3
• Polar Surface Area: 26.02 Å^2
• Rotatable Bonds: 2
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Boiling Point: 40-45 °C/12 mmHg(lit.); 96-97°C
• Flash Point: 12 °C; 3°C(37°F); 53.6 °F
• Density: 0.738 g/mL at 25 °C(lit.); 0.756; 0.756 g/mL at 20 °C(lit.)
• Refractive Index: 1.4105; n20/D 1.412; n20/D 1.4126(lit.)
• Optical Rotation: [α]20/D -5.5±0.5°, neat; [α]20/D -5.9°, neat; -5.9 (neat)

Safety Information

• Storage Warning: Air Sensitive
• European Hazard Symbols: Corrosive (C); Flammable (F)
• UN Number: 2733; UN2733
• German water hazard class: 3
• Hazard Class: 3
• Packing Group: 2; II
• Risk Statements: 11-20/21/22-34; 11-34-37
• Safety Statements: 16-26-36/37/39-45; 26-36/37/39-45
• TSCA Listed: 否
• GHS Pictograms: GHS02; GHS05; GHS07
• GHS Signal Word: Danger
• GHS Hazard statements: H225-H302-H312-H314-H332; H225-H314-H318-H335
• GHS Precautionary statements: P210-P241-P303+P361+P353-P305+P351+P338-P405-P501A; P210-P280-P305 + P351 + P338-P310
• Personal Protective Equipment: Faceshields, full-face respirator (US), Gloves, Goggles, multi-purpose combination respirator cartridge (US), type ABEK (EN14387) respirator filter
• RID/ADR: UN 2733 3/PG 2

Product Information

• Purity: ≥95.0% (sum of enantiomers, GC); 95%; 98+%
• Grade: purum
• Linear Formula: C2H5CH(CH3)CH2NH2
• Empirical Formula (Hill Notation): C5H13N

DETAILS

Sigma Aldrich - 241407

Packaging
1 g in glass bottle