tert-butyl N-(6-aminohexyl)carbamate hydrochloride

• ChemBase ID: 146477
• Molecular Formular: C11H25ClN2O2
• Molecular Mass: 252.7814
• Monoisotopic Mass: 252.16045573
• SMILES: CC(C)(C)OC(=O)NCCCCCCN.Cl
• Canonical SMILES: NCCCCCCNC(=O)OC(C)(C)C.Cl
• InChI: InChI=1S/C11H24N2O2.ClH/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12;/h4-9,12H2,1-3H3,(H,13,14);1H
• InChIKey: JSBWQIZQJOQPFN-UHFFFAOYSA-N

NAMES AND DATABASE IDS

Names

• IUPAC name: tert-butyl N-(6-aminohexyl)carbamate hydrochloride
• IUPAC Traditional name: tert-butyl N-(6-aminohexyl)carbamate hydrochloride
• Synonyms: N-Boc-1,6-diamino-hexane hydrochloride; tert-Butyl N-(6-aminohexyl)carbamate hydrochloride; N-Boc-1,6-hexanediamine hydrochloride; N-(6-氨基己基)氨基甲酸叔丁酯 盐酸盐; N-Boc-1,6-二氨基己烷 盐酸盐; N-Boc-1,6-己二胺 盐酸盐

Database IDs

• CAS Number: 65915-94-8
• EC Number: 265-976-4
• MDL Number: MFCD00039072
• Beilstein Number: 3631740
• PubChem SID: 24849387; 24867340; 162240673
• PubChem CID: 3017638

CALCULATED PROPERTIES

• Acid pKa: 16.227276
• H Acceptors: 2
• H Donor: 2
• LogD (pH = 5.5): -1.4878738
• LogD (pH = 7.4): -1.068097
• Log P: 1.5361145
• Molar Refractivity: 61.4536 cm^3
• Polarizability: 24.417141 Å^3
• Polar Surface Area: 64.35 Å^2
• Rotatable Bonds: 8
• Lipinski's Rule of Five: true

PROPERTIES

Physical Property

• Melting Point: 162-164 °C(lit.)

Safety Information

• German water hazard class: 3
• Personal Protective Equipment: Eyeshields, Gloves, type N95 (US), type P1 (EN143) respirator filter

Product Information

• Purity: ≥98%; ≥98.0% (AT)
• Grade: purum
• Linear Formula: (CH3)3COCONH(CH2)6NH2 · HCl

DETAILS

Sigma Aldrich - 437018

Application
Reagent for the introduction of a C6-spacer.
Packaging
1, 5 g in glass bottle

Sigma Aldrich - 15392

Application
Reagent for the introduction of a C6-spacer.
Other Notes
Reagent for the introduction of a C6-spacer;1,2 synthesis of polyamines and -amides3,4