4-Benzylmorpholine-2-carbonitrile - CAS 126645-52-1

Catalog:	BB006624
Product Name:	4-Benzylmorpholine-2-carbonitrile
CAS:	126645-52-1
Synonyms:	4-benzylmorpholine-2-carbonitrile

Technical Data

Safety and Hazards

Patents

Computed Properties

IUPAC Name:	4-benzylmorpholine-2-carbonitrile
Description:	4-Benzylmorpholine-2-carbonitrile can be used to treat and prevent cancer.
Molecular Weight:	202.25
Molecular Formula:	C12H14N2O
Canonical SMILES:	C1COC(CN1CC2=CC=CC=C2)C#N
InChI:	InChI=1S/C12H14N2O/c13-8-12-10-14(6-7-15-12)9-11-4-2-1-3-5-11/h1-5,12H,6-7,9-10H2
InChI Key:	NAWYNSSXFPEQKE-UHFFFAOYSA-N
Boiling Point:	343.1 °C at 760 mmHg
Density:	1.14 g/cm³
MDL:	MFCD08751344
LogP:	1.34888

Publication Number	Title	Priority Date
US-2021078996-A1	Hpk1 antagonists and uses thereof	20190913
US-2021078997-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROL[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021078998-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087189-A1	SUBSTITUTED ISINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,3-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913
US-2021087190-A1	SUBSTITUTED ISOINDOLIN-1-ONES AND 2,3-DIHYDRO-1H-PYRROLO[3,4-c]PYRIDIN-1-ONES AS HPK1 ANTAGONISTS	20190913

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Related Functional Groups

Morpholines/Thiomorpholines

[1170406-61-7]
2-Morpholino-1-(1,3,5-trimethyl-1H-pyrazol-4-yl)ethanone
[1226776-83-5]
Ethyl N-Cbz-morpholine-2-carboxylate
[267243-68-5]
Intermediate 2 of Canertinib
[1152749-21-7]
Morpholino(1H-pyrazol-4-yl)methanone
[1603814-04-5]
N-(4-Chloro-3-fluorophenyl)-7-methoxy-6-(3-morpholinopropoxy)quinazolin-4-amine
[1097623-88-5]
(2β,3α,5α,16β)-3-Hydroxy-2-(4-Morpholinyl)-16-(1-pyrrolidinyl)androstane-17-one

Nitrogen Compounds

[89908-23-6]
2-Propenoic acid, 2-(3',3'-dimethyl-6-nitrospiro[2H-1-benzopyran-2,2'-[2H]indol]-1'(3'H)-yl)ethyl ester
[1383427-98-2]
(S)-Hexahydropyrazino[2,1-c][1,4]oxazin-4(3H)-one hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[618-40-6]
1-Methyl-1-phenylhydrazine
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H301 (100%): Toxic if swallowed [Danger Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P310, P321, P330, P405, and P501
Signal Word:	Danger

Complexity:	239
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	202.110613074
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	202.110613074
Rotatable Bond Count:	2
Topological Polar Surface Area:	36.3 Å²
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	1.2