CAS 65915-94-8 tert-Butyl (6-aminohexyl)carbamate monohydrochloride (HCID 3017638)

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Basic information

CAS: 65915-94-8
Standard SMILES: CC(C)(C)OC(=O)NCCCCCCN.Cl
InChIKey: JSBWQIZQJOQPFN-UHFFFAOYSA-N
Molecular formula: C11H25ClN2O2
Average molar mass: 252.78 g/mol
Monoisotopic mass: 252.1604557

Names & identifiers

Preferred name: tert-Butyl (6-aminohexyl)carbamate monohydrochloride
IUPAC: tert-butyl N-(6-aminohexyl)carbamate;hydrochloride
English name: N-Boc-1,6-diamino-hexane hydrochloride
Molecular formula: C11H25ClN2O2
Molecular weight: 252.78

Names & synonyms

EINECS 265-976-4tert-Butyl (6-aminohexyl)carbamate HCltert-Butyl (6-aminohexyl)carbamate monohydrochlorideRefChem:891926265-976-465915-94-8N-Boc-1,6-hexanediamine hydrochloridetert-Butyl (6-aminohexyl)carbamate hydrochlorideN-Boc-1,6-diamino-hexane hydrochlorideN-BOC-1,6-HEXANEDIAMINE HCLMFCD00039072tert-butyl N-(6-aminohexyl)carbamate;hydrochloride

Show more names

BOC-HMD HCLTIMTEC-BB SBB003133RARECHEM AR PA 0024BOC-NH(CH2)6NH2 HCLBOC-DIAMINOHEXANE HCLBOC-1,6-DIAMINOHEXANE HCLN-T-BOC-1,6-DIAMINOHEXANE HCLN-1-BOC-1,6-DIAMINOHEXANE HCLN-T-BOC-HEXAMETHYLENDIAMINE HCL

n-boc-1,6-diaminohexane hydrochlorideBoc-1,6-Diaminohexane inverted exclamation mark currencyHClN-1-Boc-1,6-diaminohexane . HCltert-Butyl N-(6-aminohexyl)carbamate hydrochlorideN-(6-aminohexyl)(tert-butoxy)carboxamide, chlorideBoc-1,6-Diaminohexane HydrochlorideBoc-NH(CH2)6NH2.HClC11H25ClN2O2

Properties

Computed structural properties

Topological polar surface area: 64.4 Å²
Hydrogen bond donors: 3
Hydrogen bond acceptors: 3
Rotatable bonds: 8
Heavy atoms: 16
Formal charge: 0
Complexity: 176

Physicochemical properties

Melting point: 162 · 162-164 °C(lit.)
storage temp.: 2 · 2-8°C
form: Crystalline Powder
color: White to cream
Sensitive: Hygroscopic
BRN: 3631740 · 3631740
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
SMILES: NCCCCCCNC(OC(C)(C)C)=O.[H]Cl
CAS DataBase Reference: 65915 · 65915-94-8(CAS DataBase Reference)
UNSPSC Code: 12352116 · 12352116
NACRES: 22 · NA.22
Symbol(GHS): 7 · GHS07
Signal word: Warning
Hazard statements: 315 · H315-H319-H335
Precautionary statements: 261 · P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 2 reports by companies from 2 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE: Eyeshields, Gloves, type N95 (US)
wgk: 3
hs_code: 29241900
risk_code: 36/37/38
Signal word: Warning
Symbol(GHS): GHS07
hazard_code: Xi
safety_code: 22-24/25
Storage Class: 11 - Combustible Solids
Hazard statements: H315-H319-H335
Precautionary statements: P261-P264-P271-P280-P302+P352-P304+P340-P305+P351+P338-P312-P362-P403+P233-P501

Chemistry & industry

Applications · 2 items

UsesReagent for the introduction of a C6-spacer

UsesN-Boc-1,6-hexanediamine hydrochloride is a general reagent to introduce a C6-spacer. It can be used in:Synthesis of poly(L-glutamic acid) gadolinium chelates as biodegradable MRI contrast agents.Synthesis of cholesteryl-functionalized hyaluronic acid-based anionic nanogel for protein delivery.Preparation of amphiphilic prodrug, containing anticancer drug chlorambucil, which would self-assemble to form micelles in aqueous solution.