CAS
926221-68-3 Purity
96%
926221-68-3 Purity
96%
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1-[4-(Azetidin-1-ylmethyl)phenyl]methanamine
CAS
926225-09-4
Catalog Number
ACM926225094
Category
Other Products
Molecular Weight
176.26
Molecular Formula
C11H16N2
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Specification
Synonyms
1-[4-(AZETIDIN-1-YLMETHYL)PHENYL]METHANAMINE;[4-(AZETIDIN-1-YLMETHYL)PHENYL]METHANAMINE;4-(1-AZETIDINYLMETHYL)-BENZENEMETHANAMINE
IUPAC Name
[4-(azetidin-1-ylmethyl)phenyl]methanamine
Canonical SMILES
C1CN(C1)CC2=CC=C(C=C2)CN
InChI Key
TVGAAOARGMFIKV-UHFFFAOYSA-N
Exact Mass
176.13100
H-Bond Acceptor
2
H-Bond Donor
1
What is the molecular formula of the compound CID 53407882?
The molecular formula is C11H16N2.
What is the molecular weight of CID 53407882?
The molecular weight is 176.26 g/mol.
What is the IUPAC name of CID 53407882?
The IUPAC name is [4-(azetidin-1-ylmethyl)phenyl]methanamine.
What is the InChIKey of CID 53407882?
The InChIKey is TVGAAOARGMFIKV-UHFFFAOYSA-N.
How many hydrogen bond acceptors does CID 53407882 have?
It has 2 hydrogen bond acceptors.
What is the topological polar surface area of CID 53407882?
The topological polar surface area is 29.3 Ų.
How many rotatable bonds does CID 53407882 have?
It has 3 rotatable bonds.
Is the compound CID 53407882 canonicalized?
Yes, the compound is canonicalized.
What is the XLogP3-AA value of CID 53407882?
The XLogP3-AA value is 0.7.
What is the formal charge of CID 53407882?
The formal charge is 0.
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