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2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide,hydroiodide

2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide,hydroiodide structure

CAS No:
220554-75-6
Formula:
C16H34IN7O3
Chemical Name:
2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide,hydroiodide
Synonyms:
1,4,8,11-Tetraazacyclotetradecane-1,4,8-triacetamide,monohydriodide (9CI); 1,4,8-Tris(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane monohydriodide; 1,4,8,11-Tetraazacyclotetradecane-1,4,8-triacetamide,hydriodide (1:1); 1,4,8-Tris(aminocarbonylmethyl)-1,4,8,11-tetraazacyclotetradecane hydriodide;

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2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide,hydroiodide Basic Attributes

Molecular Weight：

499.39100

Exact Mass：

499.17679

DSSTox ID：

DTXSID30725057

HScode：

2933990090

Characteristics

PSA：

151.02000

XLogP3：

-0.02670

Melting Point：

221-223ºC

Boiling Point：

691.3ºC at 760 mmHg

Flash Point：

371.9ºC

Vapor Pressure：

1.37E-19mmHg at 25°C

Computed Properties

Molecular Weight:499.39
Hydrogen Bond Donor Count:5
Hydrogen Bond Acceptor Count:7
Rotatable Bond Count:6
Exact Mass:499.17679
Monoisotopic Mass:499.17679
Topological Polar Surface Area:151
Heavy Atom Count:27
Complexity:461
Covalently-Bonded Unit Count:2
Compound Is Canonicalized:Yes

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Guide of 2-[4,8-bis(2-amino-2-oxoethyl)-1,4,8,11-tetrazacyclotetradec-1-yl]acetamide,hydroiodide

Basic Attributes
Characteristics
Computed Properties

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