CAS 598-74-3 1,2-Dimethylpropylamine (HCID 11731)

Names & identifiers

Preferred name: 1,2-Dimethylpropylamine
IUPAC: 3-methylbutan-2-amine
English name: 1,2-Dimethylpropylamine
Molecular formula: C5H13N
Molecular weight: 87.16

Names & synonyms

1,2-Dimethylpropylamine598-74-33-Methyl-2-butanamine2-Butanamine, 3-methyl-1,2-Dimethylpropanamineiso-AmylaminePROPYLAMINE, 1,2-DIMETHYL-3-Methyl-2-butylamineBRN 0635656EINECS 209-949-71P7J19TM9E3-Methyl-2-aminobutane

Show more names

3-methyl-2-butanamin2-AMINO-3-METHYLBUTANE3-Amino-2-methylbutane3-Methylbutane-2-amine1,2 Dimethylpropylamme1,2-dimethyl-propylamin

2-04-00-00644 (Beilstein Handbook Reference)J71.080FDTXSID4022074RefChem:411794DTXCID902074(+-)-3-METHYL-2-BUTANAMINE(+-)-3-METHYL-2-BUTYLAMINE209-949-7

Database identifiers

CAS: 598-74-3
PubChem CID: 11731
DTXSID: DTXSID4022074
UNII: 1P7J19TM9E
EC Number: 209-949-7
Nikkaji: J71.080F

Properties

Computed structural properties

XLogP: 1
Topological polar surface area: 26 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 1
Heavy atoms: 6
Formal charge: 0
Complexity: 32.9

Experimental & physicochemical properties

SpringerMaterials PropertiesOptical coefficient

Physicochemical properties

Melting point: -50 °C · -50 °C (lit.)
Boiling point: 84 · 84-87 °C (lit.)
Density: 0.757 g/mL · 0.757 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.4055(lit.)
Flash point: 18 °F · −18 °F
storage temp.: 2 · 2-8°C, sealed storage, away from moisture and light
solubility: Chloroform (Sparingly), Methanol (Slightly)
pka: 10.8 · 10.80±0.10(Predicted)
form: Oil
color: Colourless
BRN: 635656 · 635656
Henry's Law Constant: 4 · 4.0×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
InChI: InChI=1S/C5H13N/c1-4(2)5(3)6/h4-5H,6H2,1-3H3
InChIKey: JOZZAIIGWFLONA-UHFFFAOYSA-N
SMILES: CC(N)C(C)C
CAS DataBase Reference: 598 · 598-74-3(CAS DataBase Reference)
EWG's Food Scores: 1 · 1
FDA UNII: 1 P7J19TM9E · 1P7J19TM9E
NIST Chemistry Reference: 2 · 2-Butanamine, 3-methyl-(598-74-3)
EPA Substance Registry System: 3 · 3-Methyl-2-butanamine (598-74-3)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05,GHS06
Signal word: Danger
Hazard statements: 225 · H225-H302-H311-H314
Precautionary statements: 210 · P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338
Hazard Codes: F,C
Risk Statements: 11 · 11-21/22-34
Safety Statements: 16 · 16-26-27-36/37/39-45
RIDADR: 3286 · UN 3286 3/PG 2
WGK Germany: 3 · 3
RTECS: 1100000 · UI1100000
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 2921199990 · 2921199990
Toxicity: 50 ipr-mus: · LD50 ipr-mus: 279 mg/kg JJPAAZ 17,475,67

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P262, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P361+P364, P362+P364, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 47 reports by companies from 5 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationPMN - indicates a commenced PMN (Pre-Manufacture Notices) substance.

Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Safety data

wgk: 3
tsca: TSCA listed
rtecs: UI1100000
ridadr: UN 3286 3/PG 2
hs_code: 2921199990
Toxicity: LD50 ipr-mus: 279 mg/kg JJPAAZ 17,475,67
risk_code: 11-21/22-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05,GHS06
hazard_code: F,C
safety_code: 16-26-27-36/37/39-45
hazard_class: 3
packing_group: II
Hazard statements: H225-H302-H311-H314
Precautionary statements: P210-P233-P280-P301+P312-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information2-Butanamine, 3-methyl-: ACTIVE

Applications

Uses1,2-Dimethylpropylamine was used as standard in separation of alkali and alkaline earth metal cations by capillary electrochromatography on monolithic octadecylsilica columns.