CAS 2906-12-9 3-Isopropoxypropylamine (HCID 76194)

Names & identifiers

Preferred name: 3-Isopropoxypropylamine
IUPAC: 3-propan-2-yloxypropan-1-amine
English name: 3-Isopropoxypropylamine
Molecular formula: C6H15NO
Molecular weight: 117.19

Names & synonyms

3-Isopropoxypropylamine2906-12-91-Propanamine, 3-(1-methylethoxy)-3-Isopropoxy-n-propylamineAI3-25442DTXSID9062699NSC 815EINECS 220-816-2EC 220-816-2RefChem:94491DTXCID3037919220-816-2

Show more names

IPOPAATOFINA IPOPAFENTAMINE OPA-33-IsopropoxypropylamIsopropyloxypropyl amine3-Isopropoxy-1-propanamine3-ISOPROPOXYPROPYL-1-AMINE

InChI=1/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2HVHYUNSUGCNKWSO-UHFFFAOYSA-N3-Aminopropyl Isopropyl Ether3-Isopropoxy-1-propylamineIsopropoxypropylamine3-propan-2-yloxypropan-1-amine3-isopropoxypropan-1-aminePropylamine, 3-isopropoxy-

Database identifiers

CAS: 2906-12-9
PubChem CID: 76194
DTXSID: DTXSID9062699
UNII: 2VVA4JE6CL
EC Number: 220-816-2
Nikkaji: J149.873H

Properties

Computed structural properties

XLogP: 0.3
Topological polar surface area: 35.3 Å²
Hydrogen bond donors: 1
Hydrogen bond acceptors: 2
Rotatable bonds: 4
Heavy atoms: 8
Formal charge: 0
Complexity: 45.8

Physicochemical properties

Melting point: -65 °C · -65 °C
Boiling point: 78 · 78-79 °C85 mm Hg(lit.)
Density: 0.845 g/mL · 0.845 g/mL at 25 °C(lit.)
refractive index: 20 · n20/D 1.4195(lit.)
Flash point: 42 °C · 42 °C
storage temp.: Flammables area
pka: 9.82 · 9.82±0.10(Predicted)
form: clear liquid
color: Colorless to Light yellow
Water Solubility: miscible
InChI: 1S/C6H15NO/c1-6(2)8-5-3-4-7/h6H,3-5,7H2,1-2H3
InChIKey: VHYUNSUGCNKWSO-UHFFFAOYSA-N
SMILES: CC(C)OCCCN
CAS DataBase Reference: 2906 · 2906-12-9(CAS DataBase Reference)
FDA UNII: 2 VVA4JE6CL · 2VVA4JE6CL
NIST Chemistry Reference: 3 · 3-Isopropoxypropylamine(2906-12-9)
EPA Substance Registry System: 1 · 1-Propanamine, 3-(1-methylethoxy)- (2906-12-9)
UNSPSC Code: 12352100 · 12352100
Symbol(GHS): 2 · GHS02,GHS05
Signal word: Danger
Hazard statements: 402 · H402-H318-H226-H314
Precautionary statements: 280 · P280-P305+P351+P338-P310-P260h-P303+P361+P353-P501a-P210-P233-P240-P241+P242+P243-P260-P264-P273-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501
PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
Hazard Codes: C
Risk Statements: 10 · 10-35-34
Safety Statements: 16 · 16-23-26-27-36/37/39-45
RIDADR: 2734 · UN 2734 8/PG 1
WGK Germany: 1 · 1
TSCA: TSCA listed
HazardClass: 3 · 3
PackingGroup: III
HS Code: 29221990 · 29221990
Storage Class: 3 · 3 - Flammable liquids
Hazard Classifications: 3 Eye · Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1A
REACH Registrations: Active
Limited Quantities: 1 L · 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)

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, P272, P273, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P303+P361+P353, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P333+P317, 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 153 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory InformationStatus: Active Update: 21-12-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/21379

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

Safety data

PPE: Faceshields, Gloves, Goggles, type ABEK (EN14387) respirator filter
wgk: 1
tsca: TSCA listed
ridadr: UN 2734 8/PG 1
hs_code: 29221990
risk_code: 10-35-34
Signal word: Danger
Symbol(GHS): GHS02,GHS05
hazard_code: C
safety_code: 16-23-26-27-36/37/39-45
hazard_class: 3
Storage Class: 3 - Flammable liquids
packing_group: III
Hazard statements: H402-H318-H226-H314
Limited Quantities: 1.0 L (0.3 gallons) (liquid) or 1 Kg (2.2 lbs) (solid)
Excepted Quantities: Max Inner Pack (30g or 30ml) and Max Outer Pack (500g or 500ml)
REACH Registrations: Active
Hazard Classifications: Aquatic Chronic 3Eye Dam. 1Flam. Liq. 3Skin Corr. 1A
Precautionary statements: P280-P305+P351+P338-P310-P260h-P303+P361+P353-P501a-P210-P233-P240-P241+P242+P243-P260-P264-P273-P301+P330+P331+P310-P303+P361+P353+P310+P363-P304+P340+P310-P305+P351+P338+P310-P370+P378-P403+P235-P405-P501

Chemistry & industry

Uses & manufacturing

General Manufacturing Information1-Propanamine, 3-(1-methylethoxy)-: ACTIVE

Applications · 2 items

Uses3-Isopropoxypropylamine may be used as a reactant in the preparation of:1-alcoxyalkyl-5-aryl-4-acyl-3-hydroxy-3-pyrrolin-2-ones1-(p-sulfamyl)-phenyl-5-oxo-3-pyrrolidine carboxylic acid derivativeethyl 1,4-dihydro-1-(3-isopropoxypropyl)-4-oxo-3-quinolinecarboxylate

General Description3-Isopropoxypropylamine is an aliphatic primary amine.