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75178-96-0 | N-Boc-1,3-propanediamine
CAS No: 75178-96-0 Catalog No: AG0035CE MDL No:MFCD00210021
Product Description
Catalog Number:
AG0035CE
Chemical Name:
N-Boc-1,3-propanediamine
CAS Number:
75178-96-0
Molecular Formula:
C8H18N2O2
Molecular Weight:
174.2407
MDL Number:
MFCD00210021
IUPAC Name:
tert-butyl N-(3-aminopropyl)carbamate
InChI:
InChI=1S/C8H18N2O2/c1-8(2,3)12-7(11)10-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)
InChI Key:
POHWAQLZBIMPRN-UHFFFAOYSA-N
SMILES:
NCCCNC(=O)OC(C)(C)C
Properties
Complexity:
141
Compound Is Canonicalized:
Yes
Covalently-Bonded Unit Count:
1
Defined Atom Stereocenter Count:
0
Defined Bond Stereocenter Count:
0
Exact Mass:
174.137g/mol
Formal Charge:
0
Heavy Atom Count:
12
Hydrogen Bond Acceptor Count:
3
Hydrogen Bond Donor Count:
2
Isotope Atom Count:
0
Molecular Weight:
174.244g/mol
Monoisotopic Mass:
174.137g/mol
Rotatable Bond Count:
5
Topological Polar Surface Area:
64.4A^2
Undefined Atom Stereocenter Count:
0
Undefined Bond Stereocenter Count:
0
XLogP3:
0.3
Literature
| Title | Journal |
|---|---|
| Modifications in synthesis strategy improve the yield and efficacy of geldanamycin-herceptin immunoconjugates. | Bioconjugate chemistry 20020101 |
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