3-Isopropoxybenzyl Amine - CAS 400771-44-0

Catalog:	BB024293
Product Name:	3-Isopropoxybenzyl Amine
CAS:	400771-44-0
Synonyms:	(3-propan-2-yloxyphenyl)methanamine; (3-propan-2-yloxyphenyl)methanamine

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Computed Properties

IUPAC Name:	(3-propan-2-yloxyphenyl)methanamine
Description:	3-Isopropoxybenzyl Amine (CAS# 400771-44-0) is a useful research chemical.
Molecular Weight:	165.23
Molecular Formula:	C10H15NO
Canonical SMILES:	CC(C)OC1=CC=CC(=C1)CN
InChI:	InChI=1S/C10H15NO/c1-8(2)12-10-5-3-4-9(6-10)7-11/h3-6,8H,7,11H2,1-2H3
InChI Key:	YRNFZPXUBVUYBJ-UHFFFAOYSA-N
MDL:	MFCD04037891
LogP:	2.63280

Publication Number	Title	Priority Date
EP-2714681-A1	Substituted sulfonamides useful as antiapoptotic bcl inhibitors	20110525
EP-2714681-B1	Substituted sulfonamides useful as antiapoptotic bcl inhibitors	20110525
US-2014135318-A1	Substituted sulfonamides useful as antiapoptotic bcl inhibitors	20110525
US-9346795-B2	Substituted sulfonamides useful as antiapoptotic Bcl inhibitors	20110525
WO-2012162365-A1	Substituted sulfonamides useful as antiapoptotic bcl inhibitors	20110525

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Related Functional Groups

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GHS Hazard Statement:	H314 (66.67%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P271, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P312, P321, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	125
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	165.115364102
Formal Charge:	0
Heavy Atom Count:	12
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	165.115364102
Rotatable Bond Count:	3
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2