4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine

HCID 5203
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Basic information

CAS
140631-53-4
Standard SMILES
CNC1CCC(c2ccc(Cl)c(Cl)c2)c2ccccc21
InChIKey
VGKDLMBJGBXTGI-UHFFFAOYSA-N
Molecular formula
C17H17Cl2N
Average molar mass
306.2 g/mol
Monoisotopic mass
305.0738049

Overview

See also: Sertraline (annotation moved to).

Names & identifiers

Preferred name
4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamine
IUPAC
4-(3,4-dichlorophenyl)-N-methyl-1,2,3,4-tetrahydronaphthalen-1-amine
English name
4(3,4-Dichlorophenyl)1,2,3,4-tetrahydro-N-methyl-1-naphthalene amine racemate
Molecular formula
C17H17Cl2N
Molecular weight
306.23

Names & synonyms

DTXSID008610174-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-n-methyl-1-naphthalenamineRefChem:1069861DTXCID00196871140631-53-44-(3,4-dichlorophenyl)-n-methyl-1,2,3,4-tetrahydronaphthalen-1-amine(1S,4S)-4-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthalenamineSealdinC17H17Cl2NZoloft (Salt/Mix)Sertraline Impurity C49MolMap_000056
Show more names
Sertraline Impurity 9Sertraline Impurity 27Sertraline Impurity 9 HCI4-(3,4-DICHLOROPHENYL) 1,2,3,4 TETRAHYDRO-N-METHYL-1-NAPHTHALENAMINE4-(3,4-Dilchlorophenyl)-1,2,3,4-Tetrahydro-N-Methyl-1-Naphthalenamine1-Naphthalenamine, 4-(3,4-dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-N-METHYL-4-(3,4-DICHLOROPHENYL)-1,2,3,4-TETRAHYDRO-1-NAPHTHALENAMINE HCL4(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-naphthylamine racemate4(3,4-Dichlorophenyl)1,2,3,4-Tetrahydro-N-Methyl-1-Naphthalen amine Racemate
SCHEMBL137619CHEMBL190573SCHEMBL14028076SCHEMBL30244837BDBM86421HMS3372K14EDA617984-(3,4-Dichlorophenyl)-1,2,3,4-tetrahydro-N-methyl-1-napthalenamine

Database identifiers

CAS
140631-53-4
PubChem CID
5203
DTXSID
DTXSID00861017
ChEMBL
CHEMBL190573
Nikkaji
J2.998.111F

Properties

Computed structural properties

XLogP
4.8
Topological polar surface area
12 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
1
Rotatable bonds
2
Heavy atoms
20

Experimental & physicochemical properties

DrugsPharmaceuticals
LogP4.3

Physicochemical properties

Boiling point
416.3 · 416.3±45.0 °C(Predicted)
Density
1.25 · 1.25±0.1 g/cm3(Predicted)
storage temp.
2 · 2-8°C
pka
9.47 · 9.47±0.40(Predicted)
FDA UNII
4 N6S45X78A · 4N6S45X78A

Chemistry & industry

Suppliers11 total

湖北瑞玛标物科技有限公司15787879035 15787875101 · [email protected]
南京望知星医药科技有限公司18569809817 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]
山东博洛达生物科技有限公司0531-68659041 · [email protected]
PT CHEM GROUP LIMITED+86-85511178; +86-85511178 · [email protected]

Related reactions

4 records
New reaction record

Compound notes

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