CAS
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1-Phenylbut-3-yn-1-amine hydrochloride
Catalog Number
ACMA00000731
Category
Amine Salts
Molecular Weight
181.66
Molecular Formula
C9H12ClNO ¡¤ HC
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Specification
Hazard Statements
H302-H319
RIDADR
NONH for all modes of transport
Symbol
GHS07
What is the molecular formula of 1-Phenylbut-3-yn-1-amine hydrochloride?
The molecular formula is C10H12ClN.
What is the molecular weight of 1-Phenylbut-3-yn-1-amine hydrochloride?
The molecular weight is 181.66 g/mol.
What is the IUPAC name of 1-Phenylbut-3-yn-1-amine hydrochloride?
The IUPAC name is 1-phenylbut-3-yn-1-amine;hydrochloride.
What is the InChI key of 1-Phenylbut-3-yn-1-amine hydrochloride?
The InChI key is QUKYKRZXFRAGIV-UHFFFAOYSA-N.
What is the canonical SMILES of 1-Phenylbut-3-yn-1-amine hydrochloride?
The canonical SMILES is C#CCC(C1=CC=CC=C1)N.Cl.
What is the CAS number of 1-Phenylbut-3-yn-1-amine hydrochloride?
The CAS number is 1177093-09-2.
What is the hydrogen bond donor count of 1-Phenylbut-3-yn-1-amine hydrochloride?
The hydrogen bond donor count is 2.
What is the hydrogen bond acceptor count of 1-Phenylbut-3-yn-1-amine hydrochloride?
The hydrogen bond acceptor count is 1.
What is the rotatable bond count of 1-Phenylbut-3-yn-1-amine hydrochloride?
The rotatable bond count is 2.
Is 1-Phenylbut-3-yn-1-amine hydrochloride a canonicalized compound?
Yes, it is a canonicalized compound.
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