CAS
94160-16-4 Purity
96%
94160-16-4 Purity
96%
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Octyl N-acetyl-dl-methionate
CAS
94160-18-6
Catalog Number
ACM94160186
Category
Other Products
Molecular Weight
303.460660 [g/mol]
Molecular Formula
C15H29NO3S
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Specification
Synonyms
Octyl N-acetyl-DL-methionate, EINECS 303-300-2, 94160-18-6
IUPAC Name
octyl 2-acetamido-4-methylsulfanylbutanoate
SMILES
CCCCCCCCOC(=O)C(CCSC)NC(=O)C
InChI Key
IVEABYDAJLBAAJ-UHFFFAOYSA-N
Boiling Point
454.8ºC at 760 mmHg
Flash Point
228.9ºC
Density
1.011g/cm³
EC Number
303-300-2
Exact Mass
303.18700
H-Bond Acceptor
3
H-Bond Donor
1
What is the molecular formula of Octyl N-acetyl-dl-methionate?
The molecular formula of Octyl N-acetyl-dl-methionate is C15H29NO3S.
When was Octyl N-acetyl-dl-methionate created in PubChem?
Octyl N-acetyl-dl-methionate was created in PubChem on August 20, 2009.
What is the molecular weight of Octyl N-acetyl-dl-methionate?
The molecular weight of Octyl N-acetyl-dl-methionate is 303.5 g/mol.
What is the IUPAC name of Octyl N-acetyl-dl-methionate?
The IUPAC name of Octyl N-acetyl-dl-methionate is octyl 2-acetamido-4-methylsulfanylbutanoate.
What is the InChIKey of Octyl N-acetyl-dl-methionate?
The InChIKey of Octyl N-acetyl-dl-methionate is IVEABYDAJLBAAJ-UHFFFAOYSA-N.
What is the Canonical SMILES of Octyl N-acetyl-dl-methionate?
The Canonical SMILES of Octyl N-acetyl-dl-methionate is CCCCCCCCOC(=O)C(CCSC)NC(=O)C.
How many hydrogen bond donor counts are there in Octyl N-acetyl-dl-methionate?
There is 1 hydrogen bond donor count in Octyl N-acetyl-dl-methionate.
What is the XLogP3-AA value of Octyl N-acetyl-dl-methionate?
The XLogP3-AA value of Octyl N-acetyl-dl-methionate is 3.9.
How many rotatable bond counts are there in Octyl N-acetyl-dl-methionate?
There are 13 rotatable bond counts in Octyl N-acetyl-dl-methionate.
Is Octyl N-acetyl-dl-methionate a canonicalized compound?
Yes, Octyl N-acetyl-dl-methionate is a canonicalized compound.
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