CAS 20193-21-9 N-Propylbutylamine (HCID 88399)

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Basic information

CAS: 20193-21-9
Standard SMILES: CCCCNCCC
InChIKey: CWYZDPHNAGSFQB-UHFFFAOYSA-N
Molecular formula: C7-H17-N
Average molar mass: 115.22 g/mol
Monoisotopic mass: 115.13609954

Names & identifiers

Preferred name: N-Propylbutylamine
IUPAC: N-propylbutan-1-amine
English name: N-Butyl-N-propylamine
Molecular formula: C7H17N
Molecular weight: 115.22

Names & synonyms

20193-21-9N-Propylbutylamine1-Butanamine, N-propyl-N-Propyl-1-butylamineN-propyl-1-butanamineY441J3U9FBEINECS 243-575-5DTXSID7066566RefChem:831057DTXCID5036216243-575-5N-Butyl-N-propylamine

Show more names

PROPYL-N-BUTYLAMINEn-propyl-1-butanaminN-PROPYL-N-BUTYLAMINE

N-propylbutan-1-amineButylamine, N-propyl-ButylpropylamineMFCD00015232propylbutylamineN-Propylbutylamine, 98%n-(n-butyl)-n-propylamineUNII-Y441J3U9FB

Database identifiers

CAS: 20193-21-9
PubChem CID: 88399
DTXSID: DTXSID7066566
UNII: Y441J3U9FB
EC Number: 243-575-5
Nikkaji: J101.000J

Properties

Computed structural properties

XLogP: 2.1
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 5
Heavy atoms: 8
Formal charge: 0
Complexity: 35.4

Experimental & physicochemical properties

LogP2.12

Physicochemical properties

Melting point: -38 °C · -38°C (estimate)
Boiling point: 133 · 133-134 °C(lit.)
Density: 0.745 g/mL · 0.745 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.412(lit.)
Flash point: 77 °F · 77 °F
pka: 11.02 · 11.02±0.19(Predicted)
InChI: 1S/C7H17N/c1-3-5-7-8-6-4-2/h8H,3-7H2,1-2H3
InChIKey: CWYZDPHNAGSFQB-UHFFFAOYSA-N
SMILES: CCCCNCCC
FDA UNII: 441 J3U9FB · Y441J3U9FB
NIST Chemistry Reference: 1 · 1-Butanamine, n-propyl-(20193-21-9)
EPA Substance Registry System: 1 · 1-Butanamine, N-propyl- (20193-21-9)

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, P264, P280, P301+P330+P331, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P321, P363, P370+P378, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 39 reports by companies from 1 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

1.1 [ppm]

5.0 [ppm]

9.6 [ppm]

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 1
risk_code: 11-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C,Xi
safety_code: 16-26-36/37/39-45
hazard_class: IRRITANT, CORROSIVE
Storage Class: 3 - Flammable liquids
Hazard statements: H226-H314

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Butanamine, N-propyl-: INACTIVE

Applications · 2 items

UsesN-propylbutylamine is an aliphatic amine. It is formed when butylamine is heated with 1-propanol in the presence of Raney nickel. Its effect as a pore directing template on the pore size and surface area of microporous mixed metal oxides has been investigated. Some of its physical and thermophysical properties have been reported.

General DescriptionN-propylbutylamine is an aliphatic amine. It is formed when butylamine is heated with 1-propanol in the presence of Raney nickel. Its effect as a pore directing template on the pore size and surface area of microporous mixed metal oxides has been investigated. Some of its physical and thermophysical properties have been reported.