CAS 544-00-3 Diisoamylamine (HCID 10988)

Names & identifiers

Preferred name: Diisoamylamine
IUPAC: 3-methyl-N-(3-methylbutyl)butan-1-amine
English name: Diisoamylamine
Molecular formula: C10H23N
Molecular weight: 157.3

Names & synonyms

DIISOAMYLAMINEDiisopentylamine544-00-31-Butanamine, 3-methyl-N-(3-methylbutyl)-isodiamylamine3-Methyl-N-(3-methylbutyl)-1-butanamineNSC 6261NSC-6261EINECS 208-856-971L34G463TDIISOAMYLAMINE [MI]AI3-35092

Show more names

Diisoamylamine >Diisopentylamine,97%N,N-Di(isopentyl)aminedi(3-methyl-1-butyl)amineN-Isopentyl-3-methyl-1-butanamine3-methyl-n-(3-methylbutyl)-1-butanamin

DTXSID1060263N,N-BIS(3-METHYLBUTYL)AMINERefChem:587812DTXCID7041702bis(3-methylbutyl)amine3-methyl-N-(3-methylbutyl)butan-1-amineDi(3-Methylbutyl)amineMFCD00015053

Database identifiers

CAS: 544-00-3
PubChem CID: 10988
DTXSID: DTXSID1060263
UNII: 71L34G463T
EC Number: 208-856-9
Nikkaji: J6.408D

Properties

Computed structural properties

XLogP: 3.2
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 6
Heavy atoms: 11
Formal charge: 0
Complexity: 66.9

Experimental & physicochemical properties

SpringerMaterials PropertiesDensity

Density0.7672 @ 21°C

Boiling Point188 °C @760 [mm Hg]

Physicochemical properties

Melting point: -44 °C · -44°C
Boiling point: 187 · 187-188°C
Density: 0 · 0,767 g/cm3
refractive index: 1.423 · 1.4230
Flash point: 58 °C · 58°C
pka: 11.1 · 11.10±0.19(Predicted)
form: clear liquid
color: Colorless to Light yellow
Water Solubility: Soluble in ethanol, ethyl ether and chloroform. Slightly soluble in water.
Merck: 14 · 14,3193
BRN: 1719663 · 1719663
Dielectric constant: 2.5 · 2.5(18℃)
InChI: InChI=1S/C10H23N/c1-9(2)5-7-11-8-6-10(3)4/h9-11H,5-8H2,1-4H3
InChIKey: SPVVMXMTSODFPU-UHFFFAOYSA-N
SMILES: C(NCCC(C)C)CC(C)C
CAS DataBase Reference: 544 · 544-00-3(CAS DataBase Reference)
FDA UNII: 71 L34G463T · 71L34G463T
EPA Substance Registry System: 1 · 1-Butanamine, 3-methyl-N-(3-methylbutyl)- (544-00-3)
UNSPSC Code: 12352116 · 12352116
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 318 · H318-H226-H314
Precautionary statements: 210 · P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501-P260h-P303+P361+P353-P305+P351+P338-P501a
Risk Statements: 34 · 34
Safety Statements: 26 · 26-36/37/39-45
RIDADR: 2734 · 2734
TSCA: TSCA listed
HS Code: 2921.19 · 2921.19.6190
HazardClass: 3 · 3
PackingGroup: II

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H226 (100%): Flammable liquid and vapor [Warning Flammable liquids]

P210, P233, P240, P241, P242, P243, P260, P261, P264, P264+P265, P270, P271, P280, P301+P316, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P321, P330, P362+P364, P363, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 7 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 3 (100%)

Safety & protection

Protective Action Criteria (PAC) · 3 items

0.041 [ppm]

0.45 [ppm]

2.7 [ppm]

Safety data

tsca: TSCA listed
ridadr: 2734
hs_code: 2921.19.6190
risk_code: 34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
safety_code: 26-36/37/39-45
hazard_class: 3
packing_group: II
Hazard statements: H318-H226-H314
Precautionary statements: P210-P233-P240-P241+P242+P243-P260-P264-P280-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501-P260h-P303+P361+P353-P305+P351+P338-P501a