N-Isopropylpropylamine

HCID 89119CAS 21968-17-2

Substructure search Find similar structures

Basic information

Standard SMILES: CCCNC(C)C
InChIKey: VLSTXUUYLIALPB-UHFFFAOYSA-N
Molecular formula: C6H15N
Average molar mass: 101.19 g/mol
Monoisotopic mass: 101.12044948

Names & identifiers

Preferred name: N-Isopropylpropylamine
IUPAC: N-propan-2-ylpropan-1-amine
English name: N-Isopropylpropylamine
Molecular formula: C6H15N
Molecular weight: 101.19

Names & synonyms

N-Isopropylpropylamine21968-17-2N-Isopropyl-n-propylamine1-Propanamine, N-(1-methylethyl)-K1P2FY26ROn-n-propylisopropylaminePROPYLISOPROPYLAMINEn-isopropyl-n-(n-propyl)aminePROPYLAMINE, N-ISOPROPYL-DTXSID20176377EINECS 244-688-2RefChem:830200

Show more names

Isopropylpropylamineisopropyl-propyl-amine2-Propanamine,N-propylPropylamine,N-isopropyl-

DTXCID3098868244-688-2N-Propyl-N-isopropylamineN-propan-2-ylpropan-1-amineN-isopropylpropan-1-amine(propan-2-yl)(propyl)amineMFCD00027095Propan-2-Yl(Propyl)Amine

Database identifiers

CAS: 21968-17-2
PubChem CID: 89119
DTXSID: DTXSID20176377
UNII: K1P2FY26RO
EC Number: 244-688-2
Nikkaji: J225.495F

Properties

Computed structural properties

XLogP: 1.5
Topological polar surface area: 12 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 1
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 33

Experimental & physicochemical properties

Kovats Retention Index694

Physicochemical properties

Melting point: -87.87 °C · -87.87°C (estimate)
Boiling point: 92 °C/96 · 92°C/96
Density: 0.7232 · 0.7232
refractive index: 1.3958 · 1.3958
pka: 10.76 · 10.76±0.28(Predicted)
Henry's Law Constant: 1.4 · 1.4×10-1 mol/(m3Pa) at 25℃, Yaws (2003)
FDA UNII: 1 P2FY26RO · K1P2FY26RO
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P241-P260
Hazard Codes: C,Xn
Risk Statements: 22 · 22
RIDADR: 2733 · UN2733
HazardClass: 3 · 3
PackingGroup: II
HS Code: 2921199990 · 2921199990

Safety & regulation

GHS classification

GHS Classification · 5 items

Danger

H224 (80%): Extremely flammable liquid and vapor [Danger Flammable liquids]；H225 (20%): Highly Flammable liquid and vapor [Danger Flammable liquids]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]

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 5 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.；Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.