3-(1-Azepanyl)-1-propanamine - CAS 3437-33-0

Catalog:	BB022093
Product Name:	3-(1-Azepanyl)-1-propanamine
CAS:	3437-33-0
Synonyms:	3-(1-azepanyl)-1-propanamine; 3-(azepan-1-yl)propan-1-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-(azepan-1-yl)propan-1-amine
Description:	3-(1-Azepanyl)-1-propanamine refinement of structural leads for centrally acting oxime reactivators of phosphylated cholinesterases.
Molecular Weight:	156.27
Molecular Formula:	C9H20N2
Canonical SMILES:	C1CCCN(CC1)CCCN
InChI:	InChI=1S/C9H20N2/c10-6-5-9-11-7-3-1-2-4-8-11/h1-10H2
InChI Key:	FXTRRLIESPAUHT-UHFFFAOYSA-N
Boiling Point:	222 ℃ at 760 mmHg
Density:	0.9 g/cm³
Appearance:	Liquid
LogP:	1.84940

Publication Number	Title	Priority Date
US-2021179916-A1	Synergistic Blends Of Anti-Agglomerant Gas Hydrate Inhibitors With Quaternary Alkyl Ammonium Compounds	20191211
US-2021179918-A1	Synergistic Blends Of Anti-Agglomerant Gas Hydrate Inhibitors With Quaternary Benzyl Ammonium Compounds	20191211
US-2021179920-A1	Synergistic Blends Of Anti-Agglomerant Gas Hydrate Inhibitors With Alkoxylates Of Fatty Alcohols, Fatty Amines And Fatty Acids	20191211
US-2021179922-A1	Synergistic Blends Of Anti-Agglomerant Gas Hydrate Inhibitors With N-Alkanoyl-Polyhydroxyalkylamines	20191211
WO-2021115967-A1	Synergistic blends of anti-agglomerant gas hydrate inhibitors with quaternary alkyl ammonium compounds	20191211

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	85.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	156.162648646
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	156.162648646
Rotatable Bond Count:	3
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.9