CAS
936940-66-8 Purity
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936940-66-8 Purity
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3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine
CAS
936940-75-9
Catalog Number
ACM936940759
Category
Other Products
Molecular Weight
153.23
Molecular Formula
C8H15N3
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Specification
Synonyms
Ambnee4003749, MolPort-004-812-121, ALBB-006872, STK502111, 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine, 936940-75-9
IUPAC Name
3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine
Canonical SMILES
CC1=C(C(=NN1)C)CCCN
InChI Key
LCGYDKLNJOBMBD-UHFFFAOYSA-N
Boiling Point
319.4ºC at 760 mmHg
Flash Point
172.9ºC
Density
1.045g/cm³
Exact Mass
153.12700
H-Bond Acceptor
2
H-Bond Donor
2
What is the molecular formula of the compound?
The molecular formula of the compound is C8H15N3.
What is the molecular weight of the compound?
The molecular weight of the compound is 153.22 g/mol.
What is the IUPAC name of the compound?
The IUPAC name of the compound is 3-(3,5-dimethyl-1H-pyrazol-4-yl)propan-1-amine.
What is the InChI of the compound?
The InChI of the compound is InChI=1S/C8H15N3/c1-6-8(4-3-5-9)7(2)11-10-6/h3-5,9H2,1-2H3,(H,10,11).
What is the InChIKey of the compound?
The InChIKey of the compound is LCGYDKLNJOBMBD-UHFFFAOYSA-N.
What is the Canonical SMILES of the compound?
The Canonical SMILES of the compound is CC1=C(C(=NN1)C)CCCN.
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.
What is the topological polar surface area of the compound?
The topological polar surface area of the compound is 54.7 Å2.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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