CAS
94166-52-6 Purity
96%
94166-52-6 Purity
96%
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6-Methoxy-3-nitro-n-propylpyridin-2-amine
CAS
94166-56-0
Catalog Number
ACM94166560
Category
Other Products
Molecular Weight
211.217820 [g/mol]
Molecular Formula
C9H13N3O3
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Specification
Synonyms
EINECS 303-352-6, CID3023912, 6-Methoxy-3-nitro-N-propylpyridin-2-amine, 94166-56-0
IUPAC Name
6-methoxy-3-nitro-N-propylpyridin-2-amine
Canonical SMILES
CCCNC1=C(C=CC(=N1)OC)[N+](=O)[O-]
InChI Key
MVGVWQWWDOENQW-UHFFFAOYSA-N
Boiling Point
352ºC at 760mmHg
Flash Point
166.7ºC
Density
1.235g/cm³
EC Number
303-352-6
Exact Mass
211.09600
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 3023912?
The molecular formula is C9H13N3O3.
What is the IUPAC name of the compound?
The IUPAC name is 6-methoxy-3-nitro-N-propylpyridin-2-amine.
What is the molecular weight of the compound?
The molecular weight is 211.22 g/mol.
What is the Canonical SMILES representation of the compound?
CCCNC1=C(C=CC(=N1)OC)[N+](=O)[O-]
What is the InChIKey of the compound?
The InChIKey is MVGVWQWWDOENQW-UHFFFAOYSA-N.
What is the CAS number for the compound?
The CAS number is 94166-56-0.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the topological polar surface area of the compound?
The topological polar surface area is 80 Ų.
How many rotatable bond counts does the compound have?
The compound has 4 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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