Thonzylamine (Standard)

CAT: 0607-BA5440-25Size: 25 mgDry Ice: NoHazardous: No

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CAT#:0607-BA5440-25Size:25 mg

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CAS Number

91-85-0

Molecular Formula

C16H22N4O

Molecular Weight

286.37

Shipping Conditions

Blue ice

Storage Conditions

-20°C.

Chemical Information

Thonzylamine

N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-(2-pyrimidinyl)ethane-1,2-diamine is a member of methoxybenzenes.

CAS Number	91-85-0
PubChem CID	5457
IUPAC Name	N'-[(4-methoxyphenyl)methyl]-N,N-dimethyl-N'-pyrimidin-2-ylethane-1,2-diamine
Molecular Formula	C16H22N4O
Molecular Weight	286.37
XLogP	2.6
Topological Polar Surface Area	41.5
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Heavy Atom Count	21
Formal Charge	0
Complexity	273

SMILES

CN(C)CCN(CC1=CC=C(C=C1)OC)C2=NC=CC=N2

InChI

InChI=1S/C16H22N4O/c1-19(2)11-12-20(16-17-9-4-10-18-16)13-14-5-7-15(21-3)8-6-14/h4-10H,11-13H2,1-3H3

InChIKey

GULNIHOSWFYMRN-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 91-85-0

CID: 5457

Formula: C16H22N4O

MW: 286.37

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	286.37
XLogP3	2.6
Hydrogen Bond Donor Count	0
Hydrogen Bond Acceptor Count	5
Rotatable Bond Count	7
Exact Mass	286.17936134
Monoisotopic Mass	286.17936134
Topological Polar Surface Area	41.5 Å²
Heavy Atom Count	21
Formal Charge	0
Complexity	273
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	1
Compound Is Canonicalized	Yes

Catalog	Name
HY-B1317R	Thonzylamine (Standard)
S6469-01	Thonzylamine
AR-T01899-01	Thonzylamine Hydrochloride
HY-B1317A	Thonzylamine (hydrochloride)
TRC-N703555-100MG	N-Nitroso Desmethyl-thonzylamine
CS-O-50065	N-Nitroso Desmethyl Thonzylamine
RM-T665001-01	N-Nitroso-Desmethyl-Thonzylamine
AR-T04978-01	N-Desmethyl Thonzylamine DiHCl