Basic information
- Name:
Carbamic acid,N-(7-aminoheptyl)-, 1,1-dimethylethyl ester
- Superlist Name:
- 1-Boc-1,7-diaminoheptane
- CAS No.:
99733-18-3
- Molecular Structure:
- Formula:
- C12H26 N2 O2
- Molecular Weight:
- 230.35
- Synonyms:
- Carbamicacid, (7-aminoheptyl)-, 1,1-dimethylethyl ester (9CI);1-(((tert-Butoxy)carbonyl)amino)-heptane-7-amine;1-[(tert-Butoxycarbonyl)amino]-7-aminoheptane; 7-Aminoheptylcarbamic acidtert-butyl ester; N-BOC-1,7-diaminoheptane;N-tert-Butoxycarbonyl-1,7-diaminoheptane;N-tert-Butoxycarbonyl-1,7-heptanediamine; tert-Butyl (7-aminoheptyl)carbamate
- Density:
- 0.949g/cm3
- Boiling Point:
- 340.9°Cat760mmHg
- Flash Point:
- 160°C
- Hazard Symbols:
- Safety Description:
DetailsHazard Codes Xi Hazard Note Irritant
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Chemistry
Molecular Structure of 1-Boc-1,7-diaminoheptane (CAS No.99733-18-3):
Molecular Formula: C12H26N2O2
Molecular Weight: 230.35
CAS No: 99733-18-3
H bond acceptors: 4
H bond donors: 3
Freely Rotating Bonds: 10
Polar Surface Area: 32.78 Å2
Index of Refraction: 1.46
Molar Refractivity: 66.51 cm3
Molar Volume: 242.6 cm3
Surface Tension: 34.1 dyne/cm
Density: 0.949 g/cm3
Flash Point: 160 °C
Enthalpy of Vaporization: 58.45 kJ/mol
Boiling Point: 340.9 °C at 760 mmHg
Vapour Pressure: 8.32E-05 mmHg at 25°C
IUPAC Name: tert-Butyl N-(7-aminoheptyl)carbamate
Canonical SMILES: CC(C)(C)OC(=O)NCCCCCCCN
InChI: InChI=1S/C12H26N2O2/c1-12(2,3)16-11(15)14-10-8-6-4-5-7-9-13/h4-10,13H2,
1-3H3,(H,14,15)
InChIKey: DTJYPERGUPPXRU-UHFFFAOYSA-N
Product Categories: Pharmacetical
Safety Profile
Hazard Codes: 
Xi
Hazard Note: Irritant
Specification
1-Boc-1,7-diaminoheptane (CAS No.99733-18-3), it also can be called tert-Butyl 7-aminoheptylcarbamate .
