(1R,2R)-(-)-1,2-Diaminocyclohexane - CAS 20439-47-8

Name: (1R,2R)-(-)-1,2-Diaminocyclohexane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB015926
Product Name:	(1R,2R)-(-)-1,2-Diaminocyclohexane
CAS:	20439-47-8
Synonyms:	(1R,2R)-cyclohexane-1,2-diamine; (1R,2R)-cyclohexane-1,2-diamine

Technical Data

IUPAC Name:	(1R,2R)-cyclohexane-1,2-diamine
Description:	Can be used as a building block for chiral ligands.
Molecular Weight:	114.19
Molecular Formula:	C6H14N2
Canonical SMILES:	C1CCC(C(C1)N)N
InChI:	InChI=1S/C6H14N2/c7-5-3-1-2-4-6(5)8/h5-6H,1-4,7-8H2/t5-,6-/m1/s1
InChI Key:	SSJXIUAHEKJCMH-PHDIDXHHSA-N
Boiling Point:	78 °C / 13 mmHg
Melting Point:	43 °C
Flash Point:	70 °C(158 °F)
Purity:	≥ 98 %, ≥ 95 % e.e.
Density:	0.931 g/cm³
Solubility:	Soluble in water.
Appearance:	White or off-white crystalline powder
Storage:	Sealed in dry. Keep in dark place. Inert atmosphere. Keep cold.
MDL:	MFCD00062985
LogP:	1.61560

GHS Hazard Statement:	H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]
Precautionary Statement:	P260, P261, P264, P272, P280, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P333+P313, P363, P405, and P501
Signal Word:	Danger

Publication Number	Title	Priority Date
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WO-2021095806-A1	Particulate water absorbent and method for producing same	20191112
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PMID	Publication Date	Title	Journal
23001015	20121205	Effect of synthetic eel calcitonin, elcatonin, on cold and mechanical allodynia induced by oxaliplatin and paclitaxel in rats	European journal of pharmacology
22209842	20121201	Bevacizumab in combination with irinotecan, 5-fluorouracil, and leucovorin (FOLFIRI) in patients with metastatic colorectal cancer who were previously treated with oxaliplatin-containing regimens: a multicenter observational cohort study (TCTG 2nd-BV study)	Medical oncology (Northwood, London, England)
22246215	20121201	Assessment of the novel tubulin-binding agent EHT 6706 in combination with ionizing radiation or chemotherapy	Investigational new drugs
22270257	20121201	Combination of ATP-competitive mammalian target of rapamycin inhibitors with standard chemotherapy for colorectal cancer	Investigational new drugs
22427209	20121201	Gemcitabine and oxaliplatin as second-line treatment in patients with hepatocellular carcinoma pre-treated with sorafenib	Medical oncology (Northwood, London, England)

Complexity:	62.9
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	2
Defined Bond Stereocenter Count:	0
Exact Mass:	114.115698455
Formal Charge:	0
Heavy Atom Count:	8
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	114.115698455
Rotatable Bond Count:	0
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.3