CAS
93940-95-5 Purity
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93940-95-5 Purity
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2,3-Bis[[[2-[(2-aminoethyl)amino]ethyl]amino]methyl]phenol
CAS
93940-98-8
Catalog Number
ACM93940988
Category
Other Products
Molecular Weight
324.464880 [g/mol]
Molecular Formula
C16H32N6O
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Specification
Synonyms
EINECS 300-497-7, CID3022993, 2,3-Bis(((2-((2-aminoethyl)amino)ethyl)amino)methyl)phenol, 93940-98-8
IUPAC Name
2,3-bis[[2-(2-aminoethylamino)ethylamino]methyl]phenol
InChI Key
XYCHOUSTRNPKQN-UHFFFAOYSA-N
Boiling Point
534.2ºC at 760mmHg
Flash Point
276.9ºC
Density
1.099g/cm³
Exact Mass
324.26400
H-Bond Acceptor
7
H-Bond Donor
7
What is the molecular formula of 2,3-Bis[[[2-[(2-aminoethyl)amino]ethyl]amino]methyl]phenol?
The molecular formula is C16H32N6O.
When was the compound created and last modified?
The compound was created on August 8, 2005, and last modified on December 30, 2023.
What is the IUPAC name of the compound?
The IUPAC name is 2,3-bis[[2-(2-aminoethylamino)ethylamino]methyl]phenol.
What is the Canonical SMILES of the compound?
The Canonical SMILES is C1=CC(=C(C(=C1)O)CNCCNCCN)CNCCNCCN.
What is the molecular weight of the compound?
The molecular weight is 324.47 g/mol.
What is the InChIKey of the compound?
The InChIKey is XYCHOUSTRNPKQN-UHFFFAOYSA-N.
How many hydrogen bond donor counts does the compound have?
The compound has 7 hydrogen bond donor counts.
What is the XLogP3-AA value of the compound?
The XLogP3-AA value is -1.9.
How many rotatable bond counts does the compound have?
The compound has 14 rotatable bond counts.
Is the compound canonicalized?
Yes, the compound is canonicalized.
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CAS
93940-97-7 Purity
96%
93940-97-7 Purity
96%
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CAS
93940-99-9 Purity
96%
93940-99-9 Purity
96%
