2-Benzyloxyethanamine - CAS 38336-04-8

Catalog:	BB023639
Product Name:	2-Benzyloxyethanamine
CAS:	38336-04-8
Synonyms:	2-phenylmethoxyethanamine; 2-phenylmethoxyethanamine

Technical Data

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Computed Properties

IUPAC Name:	2-phenylmethoxyethanamine
Description:	2-Benzyloxyethanamine (CAS# 38336-04-8) is a useful research chemical.
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	C1=CC=C(C=C1)COCCN
InChI:	InChI=1S/C9H13NO/c10-6-7-11-8-9-4-2-1-3-5-9/h1-5H,6-8,10H2
InChI Key:	XJGVVOAKITWCAB-UHFFFAOYSA-N
Boiling Point:	240.6 °C at 760 mmHg
Density:	1.016 g/cm³
MDL:	MFCD00235180
LogP:	1.86220

Publication Number	Title	Priority Date
CN-113200967-A	Indole benzoquinone compound, preparation method and application thereof	20210507
WO-2021202984-A1	Antibody drug conjugates comprising sting agonists	20200402
WO-2021055591-A1	Substituted benzimidazole carboxamides and their use in the treatment of medical disorders	20190917
WO-2021055627-A1	Substituted n-heterocyclic carboxamides as acid ceramidase inhibitors and their use as medicaments	20190917
WO-2021055630-A1	Substituted, saturated and unsaturated n-heterocyclic carboxamides and related compounds for their use in the treatment of medical disorders	20190917

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GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

Complexity:	89.6
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	151.099714038
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	151.099714038
Rotatable Bond Count:	4
Topological Polar Surface Area:	35.2 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.6