1-Cyclopentylethan-1-amine - CAS 38118-79-5

Catalog:	BB068935
Product Name:	1-Cyclopentylethan-1-amine
CAS:	38118-79-5
Synonyms:	1-Cyclopentylethylamine; 1-Aminoethylcyclopentane; (±)-α-Methylcyclopentanemethanamine; α-Methylcyclopentanemethanamine

Technical Data

Safety and Hazards

Computed Properties

IUPAC Name:	1-cyclopentylethanamine
Description:	1-Cyclopentylethan-1-amine is a reactant used in the preparation of carpropamid derivatives as fungicides against resistant Pyricularia oryzae strains.
Molecular Weight:	113.2
Molecular Formula:	C7H15N
Canonical SMILES:	CC(C1CCCC1)N
InChI:	InChI=1S/C7H15N/c1-6(8)7-4-2-3-5-7/h6-7H,2-5,8H2,1H3
InChI Key:	NLHIUUMEKSNMLS-UHFFFAOYSA-N
References:	Kurahashi, Y., et al. J. Pestic. Sci., 31, 85 (2006).

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

Complexity:	64.8
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	113.120449483
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	1
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	113.120449483
Rotatable Bond Count:	1
Topological Polar Surface Area:	26Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.5