3-Methoxy-N-methyl-1-propanamine - CAS 55612-03-8

Catalog:	BB029113
Product Name:	3-Methoxy-N-methyl-1-propanamine
CAS:	55612-03-8
Synonyms:	3-methoxy-N-methyl-1-propanamine; 3-methoxy-N-methylpropan-1-amine

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	3-methoxy-N-methylpropan-1-amine
Description:	3-Methoxy-N-methyl-1-propanamine (CAS# 55612-03-8) is a useful research chemical.
Molecular Weight:	103.16
Molecular Formula:	C5H13NO
Canonical SMILES:	CNCCCOC
InChI:	InChI=1S/C5H13NO/c1-6-4-3-5-7-2/h6H,3-5H2,1-2H3
InChI Key:	HJELPNLGHMWKQT-UHFFFAOYSA-N
Boiling Point:	126.058 °C at 760 mmHg
Density:	0.817 g/cm³
LogP:	0.63320

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GHS Hazard Statement:	H303 (100%): May be harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	31.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	103.099714038
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	103.099714038
Rotatable Bond Count:	4
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0