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3-Hydroxynortriptyline

CAT: 0572-TRC-H877260-75MGSize: 75 mgDry Ice: NoHazardous: No
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CAT#:0572-TRC-H877260-75MGSize:75 mg
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24/48H Stock Items & 2 to 6 Weeks non Stock Items.
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CAS Number
112824-19-8
Hazard Statement
Harmful if swallowed
Smiles
CNCC\C=C/1\c2ccccc2CCc3ccc(O)cc13
Molecular Formula
C19 H21 N O
Molecular Weight
279.376
InChI
InChI=1S/C19H21NO/c1-20-12-4-7-18-17-6-3-2-5-14(17)8-9-15-10-11-16(21)13-19(15)18/h2-3,5-7,10-11,13,20-21H,4,8-9,12H2,1H3/b18-7-
Additionnal Information
IUPAC name: (2Z)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-5-ol
Shipping Conditions
Room Temperature

Chemical Information

3-Hydroxynortriptyline
CAS Number112824-19-8
PubChem CID5352542
IUPAC Name(2Z)-2-[3-(methylamino)propylidene]tricyclo[9.4.0.03,8]pentadeca-1(15),3(8),4,6,11,13-hexaen-5-ol
Molecular FormulaC19H21NO
Molecular Weight279.4
XLogP4.2
Topological Polar Surface Area32.3
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Heavy Atom Count21
Formal Charge0
Complexity365
SMILES
CNCC/C=C\1/C2=CC=CC=C2CCC3=C1C=C(C=C3)O
InChI
InChI=1S/C19H21NO/c1-20-12-4-7-18-17-6-3-2-5-14(17)8-9-15-10-11-16(21)13-19(15)18/h2-3,5-7,10-11,13,20-21H,4,8-9,12H2,1H3/b18-7-
InChIKey
DXTZQTSIXRYNQV-WSVATBPTSA-N
Chemical Structure
2D Structure
2D structure of 3-Hydroxynortriptyline
CAS: 112824-19-8
CID: 5352542
Formula: C19H21NO
MW: 279.4
Interactive 3D Structure
Loading 3D structure...
View on PubChemRaw 3D data
Computed Properties
PropertyValue
Molecular Weight279.4
XLogP34.2
Hydrogen Bond Donor Count2
Hydrogen Bond Acceptor Count2
Rotatable Bond Count3
Exact Mass279.162314293
Monoisotopic Mass279.162314293
Topological Polar Surface Area32.3 Ų
Heavy Atom Count21
Formal Charge0
Complexity365
Isotope Atom Count0
Defined Atom Stereocenter Count0
Undefined Atom Stereocenter Count0
Defined Bond Stereocenter Count1
Undefined Bond Stereocenter Count0
Covalently-Bonded Unit Count1
Compound Is CanonicalizedYes

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