CAS
932394-03-1 Purity
96%
932394-03-1 Purity
96%
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N,N-Diethyl-3-nitro-benzeneethanamine
CAS
932405-32-8
Catalog Number
ACM932405328
Category
Other Products
Molecular Weight
222.28
Molecular Formula
C12H18N2O2
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Specification
Synonyms
N,N-Diethyl-2-(3-nitrophenyl)ethanamine;
IUPAC Name
N,N-diethyl-2-(3-nitrophenyl)ethanamine
Canonical SMILES
CCN(CC)CCC1=CC(=CC=C1)[N+](=O)[O-]
InChI Key
MGOKLRJHSRUNBC-UHFFFAOYSA-N
Exact Mass
222.13700
H-Bond Acceptor
3
H-Bond Donor
0
What is the molecular formula of N,N-Diethyl-3-nitro-benzeneethanamine?
The molecular formula of N,N-Diethyl-3-nitro-benzeneethanamine is C12H18N2O2.
What is the molecular weight of N,N-Diethyl-3-nitro-benzeneethanamine?
The molecular weight of N,N-Diethyl-3-nitro-benzeneethanamine is 222.28 g/mol.
What is the IUPAC name of N,N-Diethyl-3-nitro-benzeneethanamine?
The IUPAC name of N,N-Diethyl-3-nitro-benzeneethanamine is N,N-diethyl-2-(3-nitrophenyl)ethanamine.
What is the InChI of N,N-Diethyl-3-nitro-benzeneethanamine?
The InChI of N,N-Diethyl-3-nitro-benzeneethanamine is InChI=1S/C12H18N2O2/c1-3-13(4-2)9-8-11-6-5-7-12(10-11)14(15)16/h5-7,10H,3-4,8-9H2,1-2H3.
What is the InChIKey of N,N-Diethyl-3-nitro-benzeneethanamine?
The InChIKey of N,N-Diethyl-3-nitro-benzeneethanamine is MGOKLRJHSRUNBC-UHFFFAOYSA-N.
What is the canonical SMILES of N,N-Diethyl-3-nitro-benzeneethanamine?
The canonical SMILES of N,N-Diethyl-3-nitro-benzeneethanamine is CCN(CC)CCC1=CC(=CC=C1)[N+](=O)[O-].
What is the XLogP3 value of N,N-Diethyl-3-nitro-benzeneethanamine?
The XLogP3 value of N,N-Diethyl-3-nitro-benzeneethanamine is 3.1.
How many hydrogen bond donor count does N,N-Diethyl-3-nitro-benzeneethanamine have?
N,N-Diethyl-3-nitro-benzeneethanamine doesn't have any hydrogen bond donor count.
How many hydrogen bond acceptor count does N,N-Diethyl-3-nitro-benzeneethanamine have?
N,N-Diethyl-3-nitro-benzeneethanamine has 3 hydrogen bond acceptor count.
How many rotatable bond count does N,N-Diethyl-3-nitro-benzeneethanamine have?
N,N-Diethyl-3-nitro-benzeneethanamine has 5 rotatable bond count.
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