CAS
94087-69-1 Purity
96%
94087-69-1 Purity
96%
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5-Octylpyrimidine-2,4,6-triamine
CAS
94087-73-7
Catalog Number
ACM94087737
Category
Other Products
Molecular Weight
237.344520 [g/mol]
Molecular Formula
C12H23N5
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Specification
Synonyms
EINECS 301-966-9, 5-Octylpyrimidine-2,4,6-triamine, CID3023445, 94087-73-7
IUPAC Name
5-octylpyrimidine-2,4,6-triamine
Canonical SMILES
CCCCCCCCC1=C(N=C(N=C1N)N)N
InChI Key
HZGBHPCFGGQKLH-UHFFFAOYSA-N
Boiling Point
482.8ºC at 760mmHg
Flash Point
277.5ºC
Density
1.106g/cm³
EC Number
301-966-9
Exact Mass
237.19500
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of 5-Octylpyrimidine-2,4,6-triamine?
The molecular formula is C12H23N5.
When was 5-Octylpyrimidine-2,4,6-triamine created according to PubChem?
It was created on August 8, 2005.
What is the computed IUPAC name of 5-Octylpyrimidine-2,4,6-triamine?
The computed IUPAC name is 5-octylpyrimidine-2,4,6-triamine.
What is the InChIKey of 5-Octylpyrimidine-2,4,6-triamine?
The InChIKey is HZGBHPCFGGQKLH-UHFFFAOYSA-N.
How many hydrogen bond donor counts are there in 5-Octylpyrimidine-2,4,6-triamine?
There are 3 hydrogen bond donor counts.
What is the topological polar surface area of 5-Octylpyrimidine-2,4,6-triamine?
The topological polar surface area is 104?2.
Is the compound canonicalized according to PubChem?
Yes, the compound is canonicalized.
What is the molecular weight of 5-Octylpyrimidine-2,4,6-triamine?
The molecular weight is 237.34 g/mol.
How many rotatable bond counts are there in 5-Octylpyrimidine-2,4,6-triamine?
There are 7 rotatable bond counts.
What is the exact mass of 5-Octylpyrimidine-2,4,6-triamine?
The exact mass is 237.19534575 g/mol.
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