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3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one,iodide

3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one,iodide structure

CAS No:
100037-06-7
Formula:
C20H21IN4O3
Chemical Name:
3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one,iodide

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3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one,iodide Basic Attributes

Molecular Weight：

492.31000

Exact Mass：

492.06584 g/mol

Characteristics

PSA：

88.63000

XLogP3：

3.38260

Boiling Point：

575.7ºC

Flash Point：

302ºC

Vapor Pressure：

2.96E-13mmHg at 25°C

Computed Properties

Molecular Weight:492.3
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:6
Exact Mass:492.06584
Monoisotopic Mass:492.06584
Topological Polar Surface Area:87.6
Heavy Atom Count:28
Complexity:600
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 3-[3-[4-(4,5-dihydro-1H-imidazol-1-ium-2-ylamino)phenyl]-3-oxopropyl]-6-methyl-1,3-benzoxazol-2-one,iodide

Basic Attributes
Characteristics
Computed Properties

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