3-Methoxy-N-methylbenzylamine - CAS 41789-95-1

Name: 3-Methoxy-N-methylbenzylamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB024958
Product Name:	3-Methoxy-N-methylbenzylamine
CAS:	41789-95-1
Synonyms:	1-(3-methoxyphenyl)-N-methylmethanamine

Technical Data

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Computed Properties

IUPAC Name:	1-(3-methoxyphenyl)-N-methylmethanamine
Description:	Intermediate in the synthesis of Diclofensine Hydrochloride (D436580).
Molecular Weight:	151.21
Molecular Formula:	C9H13NO
Canonical SMILES:	CNCC1=CC(=CC=C1)OC
InChI:	InChI=1S/C9H13NO/c1-10-7-8-4-3-5-9(6-8)11-2/h3-6,10H,7H2,1-2H3
InChI Key:	FIFKRPFWLHBMHL-UHFFFAOYSA-N
Boiling Point:	130-133 °C (28 mmHg)
Purity:	95 %
Density:	1.014 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD04618244
LogP:	1.80550

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Related Functional Groups

Nitrogen Compounds

[1170836-25-5]C8H11N3O2
1-Cyclopentyl-5-nitro-1H-pyrazole
[13021-14-2]C10H15N
2,4,6-Trimethyl-N-methylaniline
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid
[1354706-05-0]C6H9BrN2
3-Bromo-1-ethyl-5-methyl-1H-pyrazole
[7492-88-8]C6H10N2
3-piperidinecarbonitrile
[1129-37-9]C7H6N2O3
4-Nitrobenzaldehyde oxime

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GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P272, P280, P301+P312, P302+P352, P305+P351+P338, P310, P321, P330, P333+P313, P363, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
WO-2021201036-A1	Hydroxypyrrolidine derivative and medicinal application thereof	20200331
WO-2021072203-A1	Tgfbetar1 inhibitor-asgr antibody conjugates and uses thereof	20191009
WO-2021011834-A1	Alk5 inhibitors, conjugates, and uses thereof	20190716
WO-2020182990-A1	Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases	20190314
TW-202100524-A	Fused ring pyrimidone derivatives for use in the treatment of hbv infection or of hbv-induced diseases	20190314

Complexity:	106
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:	3
Topological Polar Surface Area:	21.3 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4