N-Methyl-3-morpholino-1-propanamine - CAS 99114-72-4

Catalog:	BB042260
Product Name:	N-Methyl-3-morpholino-1-propanamine
CAS:	99114-72-4
Synonyms:	N-methyl-3-(4-morpholinyl)-1-propanamine; N-methyl-3-morpholin-4-ylpropan-1-amine

Technical Data

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Patents

Computed Properties

IUPAC Name:	N-methyl-3-morpholin-4-ylpropan-1-amine
Description:	N-Methyl-3-morpholino-1-propanamine (CAS# 99114-72-4) is a useful research chemical.
Molecular Weight:	158.24
Molecular Formula:	C8H18N2O
Canonical SMILES:	CNCCCN1CCOCC1
InChI:	InChI=1S/C8H18N2O/c1-9-3-2-4-10-5-7-11-8-6-10/h9H,2-8H2,1H3
InChI Key:	UKYSWWLKULEJFA-UHFFFAOYSA-N
Boiling Point:	236.932 °C at 760 mmHg
Density:	0.942 g/cm³
MDL:	MFCD09035683
LogP:	0.25690

Publication Number	Title	Priority Date
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Related Functional Groups

Morpholines/Thiomorpholines

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1-(4-Fluorophenyl)-3-morpholin-4-ylpropylamine
[2006277-82-1]
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GHS Hazard Statement:	H227 (100%): Combustible liquid [Warning Flammable liquids]
Precautionary Statement:	P210, P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	92.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	158.141913202
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	158.141913202
Rotatable Bond Count:	4
Topological Polar Surface Area:	24.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.2