CAS
94764-55-3 Purity
96%
94764-55-3 Purity
96%
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4-(tert-Butoxycarbonyl(4-methoxybenzyl)amino)butanoic acid
CAS
947661-79-2
Catalog Number
ACM947661792
Category
Other Products
Molecular Weight
323.384100 [g/mol]
Molecular Formula
C17H25NO5
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Specification
Synonyms
4-(tert-Butoxycarbonyl(4-methoxybenzyl)amino)butanoic acid, 947661-79-2, SureCN3510728, CTK8B8874, ANW-61535, AKOS016002900, AK-38690, KB-239243
IUPAC Name
4-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid
Canonical SMILES
CC(C)(C)OC(=O)N(CCCC(=O)O)CC1=CC=C(C=C1)OC
InChI Key
BBLKVDWFAOCNAD-UHFFFAOYSA-N
Boiling Point
480.601ºC at 760 mmHg
Flash Point
244.459ºC
Density
1.14g/cm³
Exact Mass
323.17300
H-Bond Acceptor
5
H-Bond Donor
1
What is the molecular formula of the compound with PubChem CID 68670991?
The molecular formula is C17H25NO5.
When was the compound created in PubChem?
The compound was created on November 30, 2012.
What is the molecular weight of the compound?
The molecular weight is 323.4 g/mol.
What is the IUPAC name of the compound?
The IUPAC name is 4-[(4-methoxyphenyl)methyl-[(2-methylpropan-2-yl)oxycarbonyl]amino]butanoic acid.
What is the InChIKey of the compound?
The InChIKey is BBLKVDWFAOCNAD-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 1 hydrogen bond donor count.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is 2.4.
What is the topological polar surface area of the compound?
The topological polar surface area is 76.1 Ų.
How many rotatable bond counts does the compound have?
The compound has 9 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized according to PubChem.
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