4-[(Methylamino)methyl]phenol - CAS 78507-19-4

Catalog:	BB036180
Product Name:	4-[(Methylamino)methyl]phenol
CAS:	78507-19-4
Synonyms:	4-(methylaminomethyl)phenol; 4-(methylaminomethyl)phenol

Technical Data

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Computed Properties

IUPAC Name:	4-(methylaminomethyl)phenol
Description:	4-[(Methylamino)methyl]phenol (CAS# 78507-19-4) is a useful research chemical.
Molecular Weight:	137.18
Molecular Formula:	C8H11NO
Canonical SMILES:	CNCC1=CC=C(C=C1)O
InChI:	InChI=1S/C8H11NO/c1-9-6-7-2-4-8(10)5-3-7/h2-5,9-10H,6H2,1H3
InChI Key:	AMKMYXVFAOJGGQ-UHFFFAOYSA-N
Appearance:	Solid
LogP:	1.50250

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P280, P301+P312, P302+P352, P304+P340, P305+P351+P338, P310, P312, P321, P330, P332+P313, P362, P403+P233, P405, and P501
Signal Word:	Danger

Complexity:	87.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	137.084063974
Formal Charge:	0
Heavy Atom Count:	10
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	137.084063974
Rotatable Bond Count:	2
Topological Polar Surface Area:	32.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	0.5