2-aminocyclopentane-1-carbonitrile - CAS 80501-45-7

Catalog:	BB036513
Product Name:	2-aminocyclopentane-1-carbonitrile
CAS:	80501-45-7
Synonyms:	2-amino-1-cyclopentanecarbonitrile; 2-aminocyclopentane-1-carbonitrile

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Computed Properties

IUPAC Name:	2-aminocyclopentane-1-carbonitrile
Description:	2-aminocyclopentane-1-carbonitrile (CAS# 80501-45-7) is a useful research chemical.
Molecular Weight:	110.16
Molecular Formula:	C6H10N2
Canonical SMILES:	C1CC(C(C1)N)C#N
InChI:	InChI=1S/C6H10N2/c7-4-5-2-1-3-6(5)8/h5-6H,1-3,8H2
InChI Key:	HERJCJRIDHRCKG-UHFFFAOYSA-N
LogP:	1.33768

Publication Number	Title	Priority Date
US-2021238139-A1	Modulators of tryptophan catabolism	20180601
EP-3474901-A1	Cleavable tetrazine used in bio-orthogonal drug activation	20160627
US-2019247513-A1	Cleavable tetrazine used in bio-orthogonal drug activation	20160627
WO-2018004338-A1	Cleavable tetrazine used in bio-orthogonal drug activation	20160627
US-10450296-B2	Heterocyclic compounds useful as Pim kinase inhibitors	20151002

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Related Functional Groups

Cyclopentane

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[2227205-41-4]
tert-butyl N-(2,4,4-trifluorocyclopentyl)carbamate
[1216092-61-3]
(1-Cyclopentyl-3-methylpyrazol-4-yl)methanamine hydrochloride
[2165503-83-1]
(1R,3R)-3-fluorocyclopentane-1-carboxylic acid
[277756-44-2]
1-(Trifluoromethyl)cyclopentane-1-carboxylic acid
[2941-29-9]
2-oxocyclopentane-1-carbonitrile

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]; H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]; H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]; H318 (100%): Causes serious eye damage [Danger Serious eye damage/eye irritation]; H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]; H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	122
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	110.084398327
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	110.084398327
Rotatable Bond Count:	0
Topological Polar Surface Area:	49.8
Undefined Atom Stereocenter Count:	2
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5