Desmethylnortriptyline

CAT: 1596-AR-N08057-02Size: 100 UnitsDry Ice: NoHazardous: No

1 / 1

CAT#:1596-AR-N08057-02Size:100 Units

Selected

24/48H Stock Items & 2 to 6 Weeks non Stock Items.

Quick Request Actions

CAS Number

4444-42-2

Synonyms

3- (10,11-Dihydro-5H-dibenzo[a, d]cyclohepten-5-ylidene) -1-propanamine

Molecular Formula

C18H19N

Molecular Weight

249.35

API Name

Nortriptyline

Chemical Information

Desmethylnortriptyline

Desmethylnortriptyline is an organic tricyclic compound.

CAS Number	4444-42-2
PubChem CID	160755
IUPAC Name	3-(2-tricyclo[9.4.0.03,8]pentadeca-1(15),3,5,7,11,13-hexaenylidene)propan-1-amine
Molecular Formula	C18H19N
Molecular Weight	249.3
XLogP	4.1
Topological Polar Surface Area	26
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Heavy Atom Count	19
Formal Charge	0
Complexity	294

SMILES

C1CC2=CC=CC=C2C(=CCCN)C3=CC=CC=C31

InChI

InChI=1S/C18H19N/c19-13-5-10-18-16-8-3-1-6-14(16)11-12-15-7-2-4-9-17(15)18/h1-4,6-10H,5,11-13,19H2

InChIKey

PTQFRALDEONNOA-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 4444-42-2

CID: 160755

Formula: C18H19N

MW: 249.3

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	249.3
XLogP3	4.1
Hydrogen Bond Donor Count	1
Hydrogen Bond Acceptor Count	1
Rotatable Bond Count	2
Exact Mass	249.151749610
Monoisotopic Mass	249.151749610
Topological Polar Surface Area	26 Å²
Heavy Atom Count	19
Formal Charge	0
Complexity	294
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
BA7361-5	Desmethylnortriptyline
HY-100651R	Desmethylnortriptyline (Standard)
ABA88771-01	Desmethylnortriptyline hydrochloride
TRC-H939055-10MG	cis-10-Hydroxy-desmethylnortriptyline Hydrochloride