CAS
915707-44-7 Purity
96%
915707-44-7 Purity
96%
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Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]-
CAS
915707-48-1
Catalog Number
ACM915707481
Category
Other Products
Molecular Weight
233.36
Molecular Formula
C14H23N3
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Specification
Synonyms
3-[(4-Methylhomopiperazin-1-yl)methyl]benzylamine, {3-[(4-Methyl-1,4-diazepan-1-yl)methyl]phenyl}methylamine
IUPAC Name
[3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine
Canonical SMILES
CN1CCCN(CC1)CC2=CC(=CC=C2)CN
InChI Key
MSLZRDIUXASDJH-UHFFFAOYSA-N
Boiling Point
346.1ºC at 760 mmHg
Flash Point
160.8ºC
Density
1.038g/cm³
Exact Mass
233.18900
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?
The molecular formula is C14H23N3.
What is the molecular weight of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?
The molecular weight is 233.35 g/mol.
What is the IUPAC name of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?
The IUPAC name is [3-[(4-methyl-1,4-diazepan-1-yl)methyl]phenyl]methanamine.
What is the InChI of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?
The InChI is InChI=1S/C14H23N3/c1-16-6-3-7-17(9-8-16)12-14-5-2-4-13(10-14)11-15/h2,4-5,10H,3,6-9,11-12,15H2,1H3.
What is the InChIKey of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?
The InChIKey is MSLZRDIUXASDJH-UHFFFAOYSA-N.
What is the Canonical SMILES of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?
The Canonical SMILES is CN1CCCN(CC1)CC2=CC=CC(=C2)CN.
What is the XLogP3-AA value of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?
The XLogP3-AA value is 0.8.
How many hydrogen bond donor counts does Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] have?
It has 1 hydrogen bond donor count.
What is the topological polar surface area of Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl]?
The topological polar surface area is 32.5 Ų.
Is Benzenemethanamine,3-[(hexahydro-4-methyl-1H-1,4-diazepin-1-yl)methyl] considered to have a covalently-bonded unit count of 1?
Yes, it has a covalently-bonded unit count of 1.
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915707-49-2 Purity
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96%
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