4-(3-Chloropropyl)morpholine hydrochloride - CAS 57616-74-7

Catalog:	BB029768
Product Name:	4-(3-Chloropropyl)morpholine hydrochloride
CAS:	57616-74-7
Synonyms:	4-(3-chloropropyl)morpholine;hydrochloride

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Computed Properties

IUPAC Name:	4-(3-chloropropyl)morpholine;hydrochloride
Description:	4-(3-Chloropropyl)morpholine hydrochloride (CAS# 57616-74-7) is a useful research chemical.
Molecular Weight:	200.11
Molecular Formula:	C7H14ClNO · HCl
Canonical SMILES:	C1COCCN1CCCCl.Cl
InChI:	InChI=1S/C7H14ClNO.ClH/c8-2-1-3-9-4-6-10-7-5-9;/h1-7H2;1H
InChI Key:	PQECODMSWJOUAT-UHFFFAOYSA-N
Boiling Point:	227.1 °C at 760 mmHg
LogP:	1.68740

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GHS Hazard Statement:	H301 (94.12%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P280, P301+P310, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P322, P330, P333+P313, P363, P405, and P501
Signal Word:	Danger

Complexity:	83.7
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	199.0530695
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	199.0530695
Rotatable Bond Count:	3
Topological Polar Surface Area:	12.5 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0