| CAS Number | 87530-14-1 |
| Catalog Number | AG00IENX(AGN-PC-0VEID1) |
| Chemical Name | Carbamic acid, [3-[(3-aminopropyl)methylamino]propyl]-,1,1-dimethylethyl ester |
| IUPAC Name | tert-butyl N-[3-[3-aminopropyl(methyl)amino]propyl]carbamate |
| InChI | InChI=1S/C12H27N3O2/c1-12(2,3)17-11(16)14-8-6-10-15(4)9-5-7-13/h5-10,13H2,1-4H3,(H,14,16) |
| InChI Key | FXXUDMOOSAJDHQ-UHFFFAOYSA-N |
| MDL Number | MFCD22565676 |
| Molecular Formula | C12H27N3O2 |
| Molecular Weight | 245.3617 |
| SMILES | NCCCN(CCCNC(OC(C)(C)C)=O)C |
| Synonyms | 87530-14-1,
{3-[(3-Amino-propyl)-methyl-amino]-propyl}-carbamic acid tert-butyl ester,
tert-Butyl (3-((3-aminopropyl)(methyl)amino)propyl)carbamate,
tert-Butyl n-(3-[(3-aminopropyl)(methyl)amino]propyl)carbamate,
SCHEMBL3112707,
FXXUDMOOSAJDHQ-UHFFFAOYSA-N,
ZINC39365257,
AKOS027439778,
Z-9465,
tert-butyl (7-amino-4-methyl-4-azaheptyl)carbamate,
tert-butyl 3-[(3-aminopropyl)(methyl)amino]propylcarbamate,
(3-tert-butoxycarbonylaminopropyl)-(3-aminopropyl)methylamine,
[3-[(3-aminopropyl)methylamino]propyl]carbamic acid tert-butyl ester,
[3-[(3-amino-propyl)methylamino]propyl]carbamic acid tert-butyl ester,
Carbamic acid, [3-[(3-aminopropyl)methylamino]propyl]-,1,1-dimethylethyl ester,
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| Complexity | 214 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 245.21g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 17 |
| Hydrogen Bond Acceptor Count | 4 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 245.367g/mol |
| Monoisotopic Mass | 245.21g/mol |
| Rotatable Bond Count | 9 |
| Topological Polar Surface Area | 67.6A^2 |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 0.7 |
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Certificate of Analysis
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