4-Amino-1-methylpiperidine-4-carbonitrile - CAS 123194-00-3

Catalog:	BB054948
Product Name:	4-Amino-1-methylpiperidine-4-carbonitrile
CAS:	123194-00-3
Synonyms:	4-Amino-4-cyano-1-methylpiperidine

Technical Data

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Computed Properties

IUPAC Name:	4-amino-1-methylpiperidine-4-carbonitrile
Description:	4-Amino-1-methylpiperidine-4-carbonitrile
Molecular Weight:	139.2
Molecular Formula:	C7H13N3
Canonical SMILES:	CN1CCC(CC1)(C#N)N
InChI:	InChI=1S/C7H13N3/c1-10-4-2-7(9,6-8)3-5-10/h2-5,9H2,1H3
InChI Key:	HUTRESLXFRPBOW-UHFFFAOYSA-N

Publication Number	Title	Priority Date
US-2020172546-A1	Pyrazolo[3,4-b]pyrazine derivatives as shp2 phosphatase inhibitors	20170526
US-2019307745-A1	Shp2 phosphatase inhibitors and methods of use thereof	20160922
AU-2010257586-A1	Novel cyclopentane derivatives	20090611
AU-2010257586-B2	Novel cyclopentane derivatives	20090611
CA-2762619-A1	Novel cyclopentane derivatives	20090611
CA-2762619-C	Novel cyclopentane derivatives	20090611
EP-2440521-A1	Novel cyclopentane derivatives	20090611
EP-2440521-B1	Novel cyclopentane derivatives	20090611
ES-2466720-T3	New cyclopentane derivatives	20090611
IL-216448-A	Cyclopentene derivatives, process for preparation, medicinal preparations containing them, and their use in drug preparation	20090611

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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+P354+P338, P317, P319, P321, P330, P332+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	159
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	139.110947427
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	139.110947427
Rotatable Bond Count:	0
Topological Polar Surface Area:	53Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.5