CAS
933710-66-8 Purity
96%
933710-66-8 Purity
96%
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2-(1H-Imidazol-2-yl)cyclopropanamine
CAS
933713-32-7
Catalog Number
ACM933713327
Category
Other Products
Molecular Weight
123.155760 [g/mol]
Molecular Formula
C6H9N3
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Specification
Synonyms
2-(1H-Imidazol-2-yl)cyclopropanamine, 933713-32-7, DB-079523, KB-279493
IUPAC Name
2-(1H-imidazol-2-yl)cyclopropan-1-amine
Canonical SMILES
C1C(C1N)C2=NC=CN2
InChI Key
SYDXEJRVCYPNDT-UHFFFAOYSA-N
Boiling Point
369.3±35.0 °C (760 mmHg)
Density
1.275±0.06 g/cm³ (20 °C, 760 mmHg)
Exact Mass
123.08000
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C6H9N3.
What is the molecular weight of the compound?
The molecular weight of the compound is 123.16 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 2-(1H-imidazol-2-yl)cyclopropan-1-amine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C6H9N3/c7-5-3-4(5)6-8-1-2-9-6/h1-2,4-5H,3,7H2,(H,8,9).
What is the InChIKey of the compound?
The InChIKey of the compound is SYDXEJRVCYPNDT-UHFFFAOYSA-N.
What is the canonical SMILES of the compound?
The canonical SMILES of the compound is C1C(C1N)C2=NC=CN2.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value of the compound is -0.6.
How many hydrogen bond donor counts does the compound have?
The compound has 2 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does the compound have?
The compound has 2 hydrogen bond acceptor counts.
How many rotatable bond counts does the compound have?
The compound has 1 rotatable bond count.
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