| CAS Number | 2419-59-2 |
| Catalog Number | AG00BHTB(AGN-PC-02OBW7) |
| Chemical Name | N,3-Dimethylbutan-1-amine hydrochloride |
| IUPAC Name | N,3-dimethylbutan-1-amine;hydrochloride |
| InChI | InChI=1S/C6H15N.ClH/c1-6(2)4-5-7-3;/h6-7H,4-5H2,1-3H3;1H |
| InChI Key | VCJIRVHWQPACGL-UHFFFAOYSA-N |
| MDL Number | MFCD00101606 |
| Molecular Formula | C6H16ClN |
| Molecular Weight | 137.6509 |
| SMILES | CC(C)CCNC.[H]Cl |
| Synonyms | N,3-dimethylbutan-1-amine hydrochloride,
methyl(3-methylbutyl)amine hydrochloride,
2419-59-2,
AC1Q3BTM,
SCHEMBL3819655,
CTK6I5565,
DTXSID00603590,
AKOS030625053,
MCULE-9679972004,
NE52444,
AN-50862,
CS-0039334,
FT-0717542,
EN300-50273,
N-Methyl-N-(3-methylbutyl)amine hydrochloride,
101M606,
N,3-Dimethylbutan-1-amine--hydrogen chloride (1/1),
Z607822512,
N-(3-METHYLBUTYL)-N-METHYLAMINE HYDROCHLORIDE,
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| Complexity | 33.2 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 137.097g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 8 |
| Hydrogen Bond Acceptor Count | 1 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 137.651g/mol |
| Monoisotopic Mass | 137.097g/mol |
| Rotatable Bond Count | 3 |
| Topological Polar Surface Area | 12A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
GHS Hazard and Precautionary Statements
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Hazard Class
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Hazard statements
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H302-H315-H319-H335
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Packing Group
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Precautionary statements
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P261-P264-P270-P271-P280-P301+P312-P302+P352-P304+P340-P305+P351+P338-P330-P332+P313-P337+P313-P362-P403+P233-P405-P501
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UN Code
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Certificate of Analysis
Lot Number