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N,N-dibenzyl-2-bromoethanamine

HCID 14378
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Basic information

CAS
537-11-1
Standard SMILES
BrCCN(Cc1ccccc1)Cc1ccccc1
InChIKey
GOHOPIQYQWZUTC-UHFFFAOYSA-N
Molecular formula
C16H18BrN
Average molar mass
304.22 g/mol
Monoisotopic mass
303.06226

Names & identifiers

Preferred name
N,N-dibenzyl-2-bromoethanamine
IUPAC
N,N-dibenzyl-2-bromoethanamine

Names & synonyms

N,N-dibenzyl-2-bromoethanamineDIBENZYL(2-BROMOETHYL)AMINE537-11-1NSC1413352-Dibenzylaminoethyl bromideSCHEMBL2240248N,N-Dibenzyl-2-bromoethaneamine2-(dibenzylamino)-1-bromoethaneDTXSID70274539GOHOPIQYQWZUTC-UHFFFAOYSA-NN,N-Dibenzyl-2-bromoethan-1-amineMFCD12756483
Show more names
AKOS010541676NSC-141335EN300-6486878

Database identifiers

CAS
537-11-1
PubChem CID
14378
DTXSID
DTXSID70274539
Nikkaji
J1.308.496C

Properties

Computed structural properties

XLogP
4
Topological polar surface area
3.2 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
1
Rotatable bonds
6
Heavy atoms
18
Formal charge
0
Complexity
187

Related reactions

7 records
New reaction record
HRID 244374 reaction equation
HRID 244374As productuspto-grants-2014_02
HRID 267506 reaction equation
HRID 267506As reactantuspto-grants-1976_03
HRID 700623 reaction equation
HRID 700623As reactantTraining data from https://doi.org/10.1039/C8SC04228D (3/10)
HRID 1544134 reaction equation
HRID 1544134As productTraining data from https://doi.org/10.1039/C8SC04228D (1/10)
HRID 1942524 reaction equation
HRID 1942524As productuspto-grants-2013_03
HRID 1942525 reaction equation
HRID 1942525As reactantuspto-grants-2013_03
HRID 2398238 reaction equation
HRID 2398238As reactantuspto-grants-1977_05

Compound notes

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