CAS
959239-30-6 Purity
96%
959239-30-6 Purity
96%
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1-(1-Methyl-1H-1,2,4-triazol-5-yl)-1-propanamine
CAS
959239-47-5
Catalog Number
ACM959239475
Category
Other Products
Molecular Weight
140.186280 [g/mol]
Molecular Formula
C6H12N4
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Specification
Synonyms
959239-47-5, 1-(1-methyl-1,2,4-triazol-5-yl)propylamine, Ambcb4026614, CTK5H8383, SBB051538, AKOS011991280, AG-H-94417, MCULE-4666974513, AK118599, ST4150428, 1-(1-Methyl-1H-1,2,4-triazol-5-yl)propylamine, 1-(1-Methyl-1H-1,2,4-triazol-5-yl)propan-1-amine, 1-(1-METHYL-1H-1,2,4-TRIAZOL-5-YL)-1-PROPANAMINE
IUPAC Name
1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine
Canonical SMILES
CCC(C1=NC=NN1C)N
InChI Key
SGXWUDGJVDSLSF-UHFFFAOYSA-N
Boiling Point
272.7ºC at 760 mmHg
Flash Point
118.7ºC
Density
1.21g/cm³
Exact Mass
140.10600
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of the compound?
The molecular formula of the compound is C6H12N4.
What is the molecular weight of the compound?
The molecular weight of the compound is 140.19 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 1-(2-methyl-1,2,4-triazol-3-yl)propan-1-amine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H12N4/c1-3-5(7)6-8-4-9-10(6)2/h4-5H,3,7H2,1-2H3.
What is the InChIKey of the compound?
The InChIKey of the compound is SGXWUDGJVDSLSF-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is CCC(C1=NC=NN1C)N.
What is the CAS number of the compound?
The CAS number of the compound is 959239-47-5.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is -0.2.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
How many hydrogen bond acceptor counts does the compound have?
The compound has 3 hydrogen bond acceptor counts.
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