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5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-5-(3-(diethylamino)propyl)-

HCID 36035
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Basic informationNames & identifiersPropertiesRelated reactionsCompound notes
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Basic information

CAS
32047-63-5
Standard SMILES
CCN(CC)CCCN1c2ccccc2CNc2ccccc21
InChIKey
NNTDPGZVKDQKLS-UHFFFAOYSA-N
Molecular formula
C20H27N3
Average molar mass
309.4 g/mol
Monoisotopic mass
309.22049787

Names & identifiers

Preferred name
5H-Dibenzo(b,e)(1,4)diazepine, 10,11-dihydro-5-(3-(diethylamino)propyl)-
IUPAC
3-(5,6-dihydrobenzo[b][1,4]benzodiazepin-11-yl)-N,N-diethylpropan-1-amine
English name
5-[3-(Diethylamino)propyl]-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine
Molecular formula
C20H27N3
Molecular weight
309.45

Names & synonyms

32047-63-5BRN 08933745H-DIBENZO(b,e)(1,4)DIAZEPINE, 10,11-DIHYDRO-5-(3-(DIETHYLAMINO)PROPYL)-DTXSID201858635-(3-(Diethylamino)propyl)-10,11-dihydro-5H-dibenzo(b,e)(1,4)diazepine5-23-08-00274 (Beilstein Handbook Reference)RefChem:305622DTXCID60108354DB-2634385-[3-(Diethylamino)propyl ]-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine3-(10,11-Dihydro-5H-dibenzo[b,e][1,4]diazepin-5-yl)-N,N-diethylpropan-1-amine5-[3-(Diethylamino)propyl]-10,11-dihydro-5H-dibenzo[b,e][1,4]diazepine
Show more names
5H-Dibenzo[b,e][1,4]diazepine-5-propanamine, N,N-diethyl-10,11-dihydro-

Database identifiers

CAS
32047-63-5
PubChem CID
36035

Properties

Computed structural properties

XLogP
4.3
Topological polar surface area
18.5 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
3
Rotatable bonds
6
Heavy atoms
23
Formal charge
0
Complexity
342

Related reactions

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Compound notes

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On this pageBasic informationNames & identifiersPropertiesRelated reactionsCompound notes
DTXSID
DTXSID20185863
Nikkaji
J42.190A