CAS
92065-73-1 Purity
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92065-73-1 Purity
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3-[4-[4-(Aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid
CAS
92071-51-7
Catalog Number
ACM92071517
Category
Other Products
Molecular Weight
289.369 g/mol
Molecular Formula
C17H23NO3
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Specification
Synonyms
Rotraxate, Rotraxatum, Rotraxato, Rotraxatum [Latin], Rotraxato [Spanish], Rotraxate [INN], UNII-KRN50N3Y2T, C17H23NO3, CID65829, LS-31067, p-((trans-4-(Aminomethyl)cyclohexyl)carbonyl)hydrocinnamic acid, 3-(p-(trans-4-Aminomethylcyclohexanecarbonyl)phenyl)propionic acid, trans-4-((4-(Aminomethyl)cyclohexyl)carbonyl)benzenepropanoic acid, Benzenepropanoic acid, 4-((4-(aminomethyl)cyclohexyl)carbonyl)-, trans-, 92071-51-7
IUPAC Name
3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid
Canonical SMILES
C1CC(CCC1CN)C(=O)C2=CC=C(C=C2)CCC(=O)O
InChI Key
NVBZUCIQNYPGCI-UHFFFAOYSA-N
Boiling Point
488.4ºC at 760mmHg
Flash Point
249.2ºC
Density
1.147g/cm³
Exact Mass
289.16800
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of Rotraxate?
The molecular formula of Rotraxate is C17H23NO3.
What is the molecular weight of Rotraxate?
The molecular weight of Rotraxate is 289.4 g/mol.
What is the IUPAC name of Rotraxate?
The IUPAC name of Rotraxate is 3-[4-[4-(aminomethyl)cyclohexanecarbonyl]phenyl]propanoic acid.
What is the InChIKey of Rotraxate?
The InChIKey of Rotraxate is NVBZUCIQNYPGCI-UHFFFAOYSA-N.
What is the CAS number of Rotraxate?
The CAS number of Rotraxate is 92071-51-7.
What is the XLogP3-AA value of Rotraxate?
The XLogP3-AA value of Rotraxate is -0.4.
How many hydrogen bond donor counts are there in Rotraxate?
There are 2 hydrogen bond donor counts in Rotraxate.
How many hydrogen bond acceptor counts are there in Rotraxate?
There are 4 hydrogen bond acceptor counts in Rotraxate.
How many rotatable bond counts are there in Rotraxate?
There are 6 rotatable bond counts in Rotraxate.
What is the topological polar surface area of Rotraxate?
The topological polar surface area of Rotraxate is 80.4 ?2.
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CAS
92071-89-1 Purity
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92071-89-1 Purity
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