3-Amino-N,N-dimethylbenzylamine - CAS 27958-77-6

Catalog:	BB019719
Product Name:	3-Amino-N,N-dimethylbenzylamine
CAS:	27958-77-6
Synonyms:	3-[(dimethylamino)methyl]aniline; 3-[(dimethylamino)methyl]aniline

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Computed Properties

IUPAC Name:	3-[(dimethylamino)methyl]aniline
Description:	3-Amino-N,N-dimethylbenzylamine (CAS# 27958-77-6) is used as a reagent in the preparation of amino-triazole-carboxamide derivatives for use in Trypanosoma cruzi.
Molecular Weight:	150.22
Molecular Formula:	C9H14N2
Canonical SMILES:	CN(C)CC1=CC(=CC=C1)N
InChI:	InChI=1S/C9H14N2/c1-11(2)7-8-4-3-5-9(10)6-8/h3-6H,7,10H2,1-2H3
InChI Key:	WOJBIBHVUSZAGS-UHFFFAOYSA-N
Boiling Point:	274.2 °C at 760 mmHg
Density:	1.486 g/cm³
LogP:	1.91160

Publication Number	Title	Priority Date
WO-2020223456-A1	Degradation of aurora kinase (aurk) by conjugation of aurk inhibitors with e3 ligase ligand	20190501
WO-2020210381-A1	Heterocyclic compounds and uses thereof	20190409
WO-2020156357-A1	Compound having benzo seven-membered ring structure, preparation method therefor, and use thereof	20190202
WO-2019169065-A2	Wee1 kinase inhibitors and methods of treating cancer using the same	20180228
AU-2019227823-A1	WEE1 kinase inhibitors and methods of treating cancer using the same	20180228

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GHS Hazard Statement:	H317 (95%): May cause an allergic skin reaction [Warning Sensitization, Skin]
Precautionary Statement:	P261, P272, P280, P302+P352, P305+P351+P338, P310, P321, P333+P313, P363, and P501
Signal Word:	Danger

Complexity:	112
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.115698455
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	150.115698455
Rotatable Bond Count:	2
Topological Polar Surface Area:	29.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.7