| CAS Number | 1188263-77-5 |
| Catalog Number | AG008Y84(AGN-PC-07A7CX) |
| Chemical Name | 1-methylamino-4-boc-aminobutane-hcl |
| IUPAC Name | tert-butyl N-[4-(methylamino)butyl]carbamate;hydrochloride |
| InChI | InChI=1S/C10H22N2O2.ClH/c1-10(2,3)14-9(13)12-8-6-5-7-11-4;/h11H,5-8H2,1-4H3,(H,12,13);1H |
| InChI Key | AOPIPBAUKZAPQI-UHFFFAOYSA-N |
| MDL Number | MFCD11101328 |
| Molecular Formula | C10H23ClN2O2 |
| Molecular Weight | 238.7548 |
| SMILES | C(NCCCCNC)(=O)OC(C)(C)C.Cl[H] |
| Synonyms | 1188263-77-5,
tert-Butyl (4-(methylamino)butyl)carbamate hydrochloride,
1-METHYLAMINO-4-BOC-AMINOBUTANE-HCl,
N-Boc-4-methylamino-1-butylamine hydrochloride,
DTXSID10662512,
MFCD11101328,
AKOS015923043,
AK-93250,
AS-49567,
BC687742,
AB0000303,
AX8269423,
ST2402032,
4CH-019671,
B-1814,
tert-butyl N-[4-(methylamino)butyl]carbamate;hydrochloride,
tert-Butyl [4-(methylamino)butyl]carbamate--hydrogen chloride (1/1),
874831-66-0,
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| Complexity | 164 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 2 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 238.145g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 3 |
| Hydrogen Bond Donor Count | 3 |
| Isotope Atom Count | 0 |
| Molecular Weight | 238.756g/mol |
| Monoisotopic Mass | 238.145g/mol |
| Rotatable Bond Count | 7 |
| Topological Polar Surface Area | 50.4A^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-H332-H335
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Packing Group
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Precautionary statements
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P264-P302+P352-P304+P340-P305+P351+P338-P332+P313-P337+P313
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UN Code
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Certificate of Analysis
Lot Number