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3-(1,3-Thiazol-2-yl)-1-propanamine Dihydrochloride

3-(1,3-Thiazol-2-yl)-1-propanamine Dihydrochloride - CAS 33545-16-3

Catalog:	BB071174
Product Name:	3-(1,3-Thiazol-2-yl)-1-propanamine Dihydrochloride
CAS:	33545-16-3
Synonyms:	3-(1,3-thiazol-2-yl)propan-1-amine dihydrochloride; [3-(1,3-thiazol-2-yl)propyl]amine dihydrochloride; 3-(1,3-thiazol-2-yl)propan-1-amine; dihydrochloride; 3-(Thiazol-2-yl)propan-1-amine dihydrochloride

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	3-(1,3-thiazol-2-yl)propan-1-aminedihydrochloride
Molecular Weight:	142.22 + 2(36.46)
Molecular Formula:	C6H10N2S·2HCl
Canonical SMILES:	C1=CSC(=N1)CCCN.Cl.Cl
InChI:	InChI=1S/C6H10N2S.2ClH/c7-3-1-2-6-8-4-5-9-6/h4-5H,1-3,7H22*1H
InChI Key:	YPLYRPYZMDDMRU-UHFFFAOYSA-N

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	77.5
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	3
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.009825
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	3
Isotope Atom Count:	0
Monoisotopic Mass:	214.009825
Rotatable Bond Count:	3
Topological Polar Surface Area:	67.2Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0