CAS
936343-08-7 Purity
96%
936343-08-7 Purity
96%
![Bis(2-chloroethyl)-[4-[[4-[1-(phenylmethyl)imidazol-4-yl]phenyl]azaniumylidenemethyl]phenyl]azanium dichloride](https://resource.alfa-chemistry.com/structure/93637-72-0.gif)
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methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate
CAS
936348-52-6
Catalog Number
ACM936348526
Category
Other Products
Molecular Weight
210.229760 [g/mol]
Molecular Formula
C10H14N2O3
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Specification
Synonyms
SureCN1306650, AKOS015891130, KB-202868, methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate, I01-9232, 936348-52-6
IUPAC Name
methyl 3-amino-4-(2-hydroxyethylamino)benzoate
Canonical SMILES
COC(=O)C1=CC(=C(C=C1)NCCO)N
InChI Key
FHJDCMDUQQOYLA-UHFFFAOYSA-N
Exact Mass
210.10000
H-Bond Acceptor
5
H-Bond Donor
3
What is the molecular formula of methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate?
The molecular formula is C10H14N2O3.
What is the molecular weight of methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate?
The molecular weight is 210.23 g/mol.
What is the IUPAC name of methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate?
The IUPAC name is methyl 3-amino-4-(2-hydroxyethylamino)benzoate.
What is the InChI of methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate?
The InChI is InChI=1S/C10H14N2O3/c1-15-10(14)7-2-3-9(8(11)6-7)12-4-5-13/h2-3,6,12-13H,4-5,11H2,1H3.
What is the InChIKey of methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate?
The InChIKey is FHJDCMDUQQOYLA-UHFFFAOYSA-N.
What is the canonical SMILES of methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate?
The canonical SMILES is COC(=O)C1=CC(=C(C=C1)NCCO)N.
What is the XLogP3-AA of methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate?
The XLogP3-AA is 0.4.
How many hydrogen bond donor counts does methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate have?
It has 3 hydrogen bond donor counts.
How many hydrogen bond acceptor counts does methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate have?
It has 5 hydrogen bond acceptor counts.
How many rotatable bond counts does methyl 3-amino-4-((2-hydroxyethyl)amino)benzoate have?
It has 5 rotatable bond counts.
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