CAS
90-27-7 Purity
98%
90-27-7 Purity
98%
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Hexahydro-1H-1,4-diazepin-6-amine
CAS
902798-16-7
Catalog Number
ACM902798167
Category
Other Products
Molecular Weight
115.176820 [g/mol]
Molecular Formula
C5H13N3
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Specification
Synonyms
[1,4]Diazepan-6-ylamine, SureCN2760766, AKOS006331097, D67177, 902798-16-7
IUPAC Name
1,4-diazepan-6-amine
Canonical SMILES
C1CNCC(CN1)N
InChI Key
RVBVQBYYWQSUAB-UHFFFAOYSA-N
Boiling Point
204.4ºC at 760 mmHg
Flash Point
87ºC
Density
0.93g/cm³
Exact Mass
115.11100
H-Bond Acceptor
3
H-Bond Donor
3
What is the molecular formula of Hexahydro-1H-1,4-diazepin-6-amine?
The molecular formula of Hexahydro-1H-1,4-diazepin-6-amine is C5H13N3.
What is the molecular weight of Hexahydro-1H-1,4-diazepin-6-amine?
The molecular weight of Hexahydro-1H-1,4-diazepin-6-amine is 115.18 g/mol.
What is the IUPAC name of Hexahydro-1H-1,4-diazepin-6-amine?
The IUPAC name of Hexahydro-1H-1,4-diazepin-6-amine is 1,4-diazepan-6-amine.
What is the InChI of Hexahydro-1H-1,4-diazepin-6-amine?
The InChI of Hexahydro-1H-1,4-diazepin-6-amine is InChI=1S/C5H13N3/c6-5-3-7-1-2-8-4-5/h5,7-8H,1-4,6H2.
What is the InChIKey of Hexahydro-1H-1,4-diazepin-6-amine?
The InChIKey of Hexahydro-1H-1,4-diazepin-6-amine is RVBVQBYYWQSUAB-UHFFFAOYSA-N.
What is the Canonical SMILES of Hexahydro-1H-1,4-diazepin-6-amine?
The Canonical SMILES of Hexahydro-1H-1,4-diazepin-6-amine is C1CNCC(CN1)N.
What is the XLogP3-AA value of Hexahydro-1H-1,4-diazepin-6-amine?
The XLogP3-AA value of Hexahydro-1H-1,4-diazepin-6-amine is -1.7.
How many hydrogen bond donor counts are there in Hexahydro-1H-1,4-diazepin-6-amine?
There are 3 hydrogen bond donor counts in Hexahydro-1H-1,4-diazepin-6-amine.
What is the topological polar surface area of Hexahydro-1H-1,4-diazepin-6-amine?
The topological polar surface area of Hexahydro-1H-1,4-diazepin-6-amine is 50.1 2.
Is Hexahydro-1H-1,4-diazepin-6-amine considered a canonicalized compound?
Yes, Hexahydro-1H-1,4-diazepin-6-amine is considered a canonicalized compound.
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