N-Boc-1,6-hexanediamine - CAS 51857-17-1

Name: N-Boc-1,6-hexanediamine
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB027628
Product Name:	N-Boc-1,6-hexanediamine
CAS:	51857-17-1
Synonyms:	N-(6-Aminohexyl)-carbamic Acid 1,1-Dimethylethyl Ester; (6-Aminohexyl)carbamic Acid tert-Butyl Ester; 1-((tert-Butoxycarbonyl)amino)-6-aminohexane; N-Boc-1,6-diaminohexane; N-(t-butoxycarbonyl)-1,6-diaminohexane; N-tert-Butoxycarbonyl-1,6-hexanediamine; N-(tert-Butoxycarbonyl)-1,6-diaminohexane; NH2-C6-NH-Boc; tert-butyl 6-aminohexylcarbamate; Carbamic acid, (6-aminohexyl)-, 1,1-dimethylethyl ester

Technical Data

Related CAS:	65915-94-8 (hydrochloride)
IUPAC Name:	tert-butyl N-(6-aminohexyl)carbamate
Molecular Weight:	216.32
Molecular Formula:	C11H24N2O2
Canonical SMILES:	CC(C)(C)OC(=O)NCCCCCCN
InChI:	InChI=1S/C11H24N2O2/c1-11(2,3)15-10(14)13-9-7-5-4-6-8-12/h4-9,12H2,1-3H3,(H,13,14)
InChI Key:	RVZPDKXEHIRFPM-UHFFFAOYSA-N
Boiling Point:	325.3±25.0°C at 760 mmHg
Purity:	95%
Density:	0.965 g/cm³
Solubility:	Soluble in Dichloromethane, Ethanol, Ethyl Acetate (Sparingly), Methanol (Sparingly)
Appearance:	Clear light yellow viscous liquid
Storage:	Store at 2-8°C
MDL:	MFCD00671489
LogP:	3.12140

GHS Hazard Statement:	H314 (97.83%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22799572	20120801	Growth inhibition of human thyroid carcinoma and goiter cells in vitro by the isoflavone derivative 7-(O)-carboxymethyl daidzein conjugated to N-t-boc-hexylenediamine	Thyroid : official journal of the American Thyroid Association
21600982	20110901	Anti-thyroid cancer properties of a novel isoflavone derivative, 7-(O)-carboxymethyl daidzein conjugated to N-t-Boc-hexylenediamine in vitro and in vivo	The Journal of steroid biochemistry and molecular biology
19738422	20090901	7-(O)-Carboxymethyl daidzein conjugated to N-t-Boc-hexylenediamine: a novel compound capable of inducing cell death in epithelial ovarian cancer stem cells	Cancer biology & therapy
18314939	20080301	Novel biodegradable poly(disulfide amine)s for gene delivery with high efficiency and low cytotoxicity	Bioconjugate chemistry
17990847	20071213	Synthesis and evaluation of the antiproliferative activities of derivatives of carboxyalkyl isoflavones linked to N-t-Boc-hexylenediamine	Journal of medicinal chemistry

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	216.183778013
Formal Charge:	0
Heavy Atom Count:	15
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	216.183778013
Rotatable Bond Count:	8
Topological Polar Surface Area:	64.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.4