CAS 19522-67-9 N-Isopropylethylenediamine (HCID 88098)

Overview

2-isopropylaminoethylamine is a primary aliphatic amine that is ethane-1,2-diamine substituted by an isopropyl group at the N atom. It has a role as a human metabolite. It is a primary aliphatic amine and a secondary aliphatic amine.

Names & identifiers

Preferred name: N-Isopropylethylenediamine
IUPAC: N'-propan-2-ylethane-1,2-diamine
English name: N-Isopropylethylenediamine
Molecular formula: C5H14N2
Molecular weight: 102.18

Names & synonyms

N-Isopropylethylenediamine2-IsopropylaminoethylamineEINECS 243-125-8NSC 842301,2-Ethanediamine, N1-(1-methylethyl)-DTXSID8066505CHEBI:84288N-(propan-2-yl)ethane-1,2-diamineRefChem:163625DTXCID2036114243-125-8KDRUIMNNZBMLJR-UHFFFAOYSA-N

Show more names

RARECHEM AL BW 2006N-Isopropylethylediamine2-(ISOPROPYLAMINO)ETHYLAMINE2-aminoethyl-isopropyl-amineN-Isopropyl-1,2-ethanediamine

19522-67-9N1-isopropylethane-1,2-diamine(2-Aminoethyl)(Propan-2-Yl)AmineIsopropylaminoethylamine1,2-Ethanediamine, N-(1-methylethyl)-N'-propan-2-ylethane-1,2-diamineEthylenediamine, N-isopropyl-N-Isopropylethane-1,2-diamine

Database identifiers

CAS: 19522-67-9
PubChem CID: 88098
DTXSID: DTXSID8066505
ChEBI: CHEBI:84288
EC Number: 243-125-8
Nikkaji: J150.020A

Properties

Computed structural properties

XLogP: -0.3
Topological polar surface area: 38.1 Å²
Hydrogen bond donors: 2
Hydrogen bond acceptors: 2
Rotatable bonds: 3
Heavy atoms: 7
Formal charge: 0
Complexity: 35.1

Physicochemical properties

Melting point: -30.89 °C · -30.89°C (estimate)
Boiling point: 135 · 135-137 °C
Density: 0.819 g/mL · 0.819 g/mL at 25 °C (lit.)
refractive index: 20 · n20/D 1.436(lit.)
Flash point: 43 °F · 43 °F
storage temp.: Flammables area
pka: 10.08 · 10.08±0.29(Predicted)
form: clear liquid
color: Colorless to Almost colorless
Specific Gravity: 0.819 · 0.819
BRN: 1732183 · 1732183
InChI: 1S/C5H14N2/c1-5(2)7-4-3-6/h5,7H,3-4,6H2,1-2H3
InChIKey: KDRUIMNNZBMLJR-UHFFFAOYSA-N
SMILES: CC(C)NCCN
CAS DataBase Reference: 19522 · 19522-67-9(CAS DataBase Reference)
NIST Chemistry Reference: N-isopropylethylenediamine(19522-67-9)
EPA Substance Registry System: 1 · 1,2-Ethanediamine, N-(1-methylethyl)- (19522-67-9)
UNSPSC Code: 12352100 · 12352100
NACRES: 22 · NA.22
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 225 · H225-H314
Precautionary statements: 210 · P210-P233-P240-P280-P303+P361+P353-P305+P351+P338
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: F,C
Risk Statements: 11 · 11-34
Safety Statements: 26 · 26-36/37/39-45-28A-16
RIDADR: 2733 · UN 2733 3/PG 2
WGK Germany: 3 · 3
F: 10 · 10-23
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: II
HS Code: 29212900 · 29212900
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 2 Skin · Flam. Liq. 2Skin Corr. 1B

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (90.9%): Highly Flammable liquid and vapor [Danger 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 44 reports by companies from 3 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesFlam. Liq. 2 (90.9%)

Safety data

F: 10-23
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 3
tsca: TSCA listed
ridadr: UN 2733 3/PG 2
hs_code: 29212900
risk_code: 11-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: F,C
safety_code: 26-36/37/39-45-28A-16
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: II
Hazard statements: H225-H314
Hazard Classifications: Flam. Liq. 2Skin Corr. 1B
Precautionary statements: P210-P233-P240-P280-P303+P361+P353-P305+P351+P338

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1,2-Ethanediamine, N1-(1-methylethyl)-: ACTIVE

Applications

Uses3-Hydroxy-1-(4-methoxyphenyl)-4-phenyl-2-azetidinone is used as a reagent in the preparation of enantiopure α-hydroxy-β-lactams via stereoselective glycosylation.