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69816-37-1 molecular structure
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2-aminoethanimidamide hydrobromide

ChemBase ID: 800421
Molecular Formular: C2H8BrN3
Molecular Mass: 154.00902
Monoisotopic Mass: 152.99015927
SMILES and InChIs

SMILES:
Br.C(C(=N)N)N
Canonical SMILES:
NCC(=N)N.Br
InChI:
InChI=1S/C2H7N3.BrH/c3-1-2(4)5;/h1,3H2,(H3,4,5);1H
InChIKey:
CVJBACMWXLPWDJ-UHFFFAOYSA-N

Cite this record

CBID:800421 http://www.chembase.cn/molecule-800421.html

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NAMES AND DATABASE IDS

NAMES AND DATABASE IDS

Names Database IDs
IUPAC name
2-aminoethanimidamide hydrobromide
IUPAC Traditional name
2-aminoethanimidamide hydrobromide
Synonyms
2-aminoacetimidamide hydrobromide
CAS Number
69816-37-1

DATA SOURCES

DATA SOURCES

All Sources Commercial Sources Non-commercial Sources
Data Source Data ID
A&J Pharmtech AJA-O15951 external link Add to cart
Data Source Data ID Price
A&J Pharmtech
AJA-O15951 external link Add to cart Please log in.
Data Source Data ID

CALCULATED PROPERTIES

CALCULATED PROPERTIES

JChem
H Acceptors H Donor
LogD (pH = 5.5) -5.431842  LogD (pH = 7.4) -4.356087 
Log P -1.88459  Molar Refractivity 30.4197 cm3
Polarizability 7.809257 Å3 Polar Surface Area 75.89 Å2
Rotatable Bonds Lipinski's Rule of Five true 

PROPERTIES

PROPERTIES

Product Information Bioassay(PubChem)
Purity
98% expand Show data source

DETAILS

DETAILS

REFERENCES

REFERENCES

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PATENTS

PATENTS

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INTERNET

INTERNET

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