| CAS Number | 57297-27-5 |
| Catalog Number | AG00EJM4(AGN-PC-0SNFBH) |
| Chemical Name | 3-Methylbutanamidine hydrochloride |
| EC Number | 611-494-8 |
| IUPAC Name | 3-methylbutanimidamide;hydrochloride |
| InChI | InChI=1S/C5H12N2.ClH/c1-4(2)3-5(6)7;/h4H,3H2,1-2H3,(H3,6,7);1H |
| InChI Key | SYMBJSDZFDGMCY-UHFFFAOYSA-N |
| MDL Number | MFCD10697953 |
| Molecular Formula | C5H13ClN2 |
| Molecular Weight | 136.6231 |
| SMILES | Cl.CC(CC(=N)N)C |
| Synonyms | 3-Methylbutanimidamide hydrochloride,
57297-27-5,
3-Methyl-butyramidine HCl,
isobutylcarbamidine hydrochloride,
isovaleramidine hydrochloride,
SCHEMBL1025428,
isopropylacetamidine hydrochloride,
KS-00001KOY,
DTXSID30596966,
SYMBJSDZFDGMCY-UHFFFAOYSA-N,
MFCD10697953,
AKOS026672165,
AB60903,
MCULE-9650824038,
NE19920,
M33005,
3-Methylbutanimidamide--hydrogen chloride (1/1),
Z1346385639,
3-Methyl-butyramidineHCl,
|
| Complexity | 66.5 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 136.077g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 136.623g/mol |
| Monoisotopic Mass | 136.077g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 49.9A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
| Symbol: |  |
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Hazard Class
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\N
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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\N
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Precautionary statements
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P261-P305+P351+P338
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UN Code
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\N
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Certificate of Analysis
Lot Number