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3-Bromo-N,N-dimethyl-1-propylamine Hydrobromide

3-Bromo-N,N-dimethyl-1-propylamine Hydrobromide - CAS 5845-30-7

Catalog:	BB030045
Product Name:	3-Bromo-N,N-dimethyl-1-propylamine Hydrobromide
CAS:	5845-30-7
Synonyms:	3-bromo-N,N-dimethyl-1-propanamine;hydrobromide; 3-bromo-N,N-dimethylpropan-1-amine;hydrobromide

Technical Data

Safety and Hazards

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Computed Properties

IUPAC Name:	3-bromo-N,N-dimethylpropan-1-amine;hydrobromide
Description:	3-Bromo-N,N-dimethyl-1-propylamine Hydrobromide (CAS# 5845-30-7) is a useful research chemical.
Molecular Weight:	246.97
Molecular Formula:	C5H13Br2N
Canonical SMILES:	CN(C)CCCBr.Br
InChI:	InChI=1S/C5H12BrN.BrH/c1-7(2)5-3-4-6;/h3-5H2,1-2H3;1H
InChI Key:	IDBJSERXBDUKCD-UHFFFAOYSA-N
Boiling Point:	484.7 °C at 760 mmHg
Density:	1.45 g/cm³
MDL:	MFCD11109991
LogP:	2.29110

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P312, P321, P330, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	37.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	2
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	246.93943
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	244.94147
Rotatable Bond Count:	3
Topological Polar Surface Area:	3.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0