CAS
94201-70-4 Purity
96%
94201-70-4 Purity
96%
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Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate
CAS
94201-74-8
Catalog Number
ACM94201748
Category
Other Products
Molecular Weight
307.427760 [g/mol]
Molecular Formula
C18H29NO3
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Specification
Synonyms
EINECS 303-663-7, CID3024004, Methyl 2-((7-hydroxy-3,7-dimethyloctyl)amino)benzoate, 94201-74-8
IUPAC Name
methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate
SMILES
CC(CCCC(C)(C)O)CCNC1=CC=CC=C1C(=O)OC
InChI Key
YLWASZIQQSARJP-UHFFFAOYSA-N
Boiling Point
434.6ºC at 760mmHg
Flash Point
216.6ºC
Density
1.048g/cm³
EC Number
303-663-7
Exact Mass
307.21500
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
The molecular formula is C18H29NO3.
What is the IUPAC Name of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
The IUPAC Name is methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate.
What is the molecular weight of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
The molecular weight is 307.4 g/mol.
What is the Canonical SMILES notation for Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
The Canonical SMILES is CC(CCCC(C)(C)O)CCNC1=CC=CC=C1C(=O)OC.
How many hydrogen bond donor counts are there in Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
There are 2 hydrogen bond donor counts.
What is the XLogP3-AA value of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
The XLogP3-AA value is 4.7.
What is the exact mass of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
The exact mass is 307.21474379 g/mol.
How many rotatable bond counts are there in Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
There are 10 rotatable bond counts.
What is the topological polar surface area of Methyl 2-[(7-hydroxy-3,7-dimethyloctyl)amino]benzoate?
The topological polar surface area is 58.6 Ų.
Is the compound canonicalized in PubChem?
Yes, the compound is canonicalized in PubChem.
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