CAS
94113-40-3 Purity
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94113-40-3 Purity
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N-[3-(Octadecyloxy)propyl]-beta-alanine
CAS
94113-46-9
Catalog Number
ACM94113469
Category
Other Products
Molecular Weight
399.650760 [g/mol]
Molecular Formula
C24H49NO3
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Specification
Synonyms
EINECS 302-579-8, N-(3-(Octadecyloxy)propyl)-beta-alanine, 94113-46-9
IUPAC Name
3-(3-octadecoxypropylamino)propanoic acid
Canonical SMILES
CCCCCCCCCCCCCCCCCCOCCCNCCC(=O)O
InChI Key
KUXTXLYINCAPMS-UHFFFAOYSA-N
Boiling Point
519.1ºC at 760 mmHg
Flash Point
267.7ºC
Density
0.919g/cm³
EC Number
302-579-8
Exact Mass
399.37100
H-Bond Acceptor
4
H-Bond Donor
2
What is the molecular formula of N-[3-(Octadecyloxy)propyl]-beta-alanine?
The molecular formula of N-[3-(Octadecyloxy)propyl]-beta-alanine is C24H49NO3.
When was N-[3-(Octadecyloxy)propyl]-beta-alanine first created on PubChem?
N-[3-(Octadecyloxy)propyl]-beta-alanine was first created on PubChem on August 20, 2009.
What is the IUPAC Name of N-[3-(Octadecyloxy)propyl]-beta-alanine?
The IUPAC Name of N-[3-(Octadecyloxy)propyl]-beta-alanine is 3-(3-octadecoxypropylamino)propanoic acid.
What is the InChIKey of N-[3-(Octadecyloxy)propyl]-beta-alanine?
The InChIKey of N-[3-(Octadecyloxy)propyl]-beta-alanine is KUXTXLYINCAPMS-UHFFFAOYSA-N.
How many hydrogen bond donor counts does N-[3-(Octadecyloxy)propyl]-beta-alanine have?
N-[3-(Octadecyloxy)propyl]-beta-alanine has 2 hydrogen bond donor counts.
What is the XLogP3-AA value of N-[3-(Octadecyloxy)propyl]-beta-alanine?
The XLogP3-AA value of N-[3-(Octadecyloxy)propyl]-beta-alanine is 6.1.
What is the topological polar surface area of N-[3-(Octadecyloxy)propyl]-beta-alanine?
The topological polar surface area of N-[3-(Octadecyloxy)propyl]-beta-alanine is 58.6 ㎡.
Does N-[3-(Octadecyloxy)propyl]-beta-alanine have any defined atom stereocenter counts?
No, N-[3-(Octadecyloxy)propyl]-beta-alanine has 0 defined atom stereocenter counts.
What is the exact mass of N-[3-(Octadecyloxy)propyl]-beta-alanine?
The exact mass of N-[3-(Octadecyloxy)propyl]-beta-alanine is 399.37124443 g/mol.
How many rotatable bond counts does N-[3-(Octadecyloxy)propyl]-beta-alanine have?
N-[3-(Octadecyloxy)propyl]-beta-alanine has 24 rotatable bond counts.
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