3-Bromo-4-methoxybenzylamine - CAS 247254-47-3

Catalog:	BB018602
Product Name:	3-Bromo-4-methoxybenzylamine
CAS:	247254-47-3
Synonyms:	(3-bromo-4-methoxyphenyl)methanamine; (3-bromo-4-methoxyphenyl)methanamine

Technical Data

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Computed Properties

IUPAC Name:	(3-bromo-4-methoxyphenyl)methanamine
Description:	3-Bromo-4-methoxybenzylamine (CAS# 247254-47-3 ) is a useful research chemical.
Molecular Weight:	216.08
Molecular Formula:	C8H10BrNO
Canonical SMILES:	COC1=C(C=C(C=C1)CN)Br
InChI:	InChI=1S/C8H10BrNO/c1-11-8-3-2-6(5-10)4-7(8)9/h2-4H,5,10H2,1H3
InChI Key:	PZYWNKFZCOGPJX-UHFFFAOYSA-N
Boiling Point:	290.249 °C at 760 mmHg
Density:	1.444 g/cm³
MDL:	MFCD03410965
LogP:	2.61670

Publication Number	Title	Priority Date
KR-101893879-B1	Novel CDK inhibitory compounds, preparation method thereof, pharmaceutical composition for use in preventing or treating CDK relating diseases containing the same as an active ingredient	20170331
AU-2013315528-A1	Aminoisoquinoline derivatives as protein kinase inhibitors	20120914
CA-2883386-A1	Aminoisoquinoline derivatives as protein kinase inhibitors	20120914
EP-2895166-A1	Aminoisoquinoline derivatives as protein kinase inhibitors	20120914
JP-2015528503-A	Aminoisoquinoline derivatives as protein kinase inhibitors	20120914

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Related Functional Groups

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P264, P270, P280, P301+P312, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P363, P405, and P501
Signal Word:	Danger

Complexity:	121
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	214.99458
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	214.99458
Rotatable Bond Count:	2
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4