1,12-Diaminododecane - CAS 2783-17-7

Name: 1,12-Diaminododecane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB019684
Product Name:	1,12-Diaminododecane
CAS:	2783-17-7
Synonyms:	dodecane-1,12-diamine

Technical Data

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Computed Properties

IUPAC Name:	dodecane-1,12-diamine
Description:	1,12-Diaminododecane (CAS# 2783-17-7) is a long aliphatic diamine that is known to inhibit specific phospholipid-sensitive enzymes and myosin light-chain kinases.
Molecular Weight:	200.36
Molecular Formula:	C12H28N2
Canonical SMILES:	C(CCCCCCN)CCCCCN
InChI:	InChI=1S/C12H28N2/c13-11-9-7-5-3-1-2-4-6-8-10-12-14/h1-14H2
InChI Key:	QFTYSVGGYOXFRQ-UHFFFAOYSA-N
Boiling Point:	304 °C
Melting Point:	67-69 °C (lit.)
Flash Point:	311 °F
Density:	0.856 g/cm³
Appearance:	White crystalline solid
MDL:	MFCD00008155
LogP:	4.20540
Refractive Index:	1.4383 (estimate)

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Related Functional Groups

Nitrogen Compounds

[333311-69-6]C12H12BrN3O2
1-(4-Bromobenzyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[51355-91-0]C6H8ClN3O2
1-(Chloromethyl)-3,5-dimethyl-4-nitro-1H-pyrazole
[102388-00-1]C4H4ClN3O2
1-(Chloromethyl)-3-nitro-1H-pyrazole
[1243387-55-4]C10H8F3NO3
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[865774-78-3]C16H21F2NO2
2-(6,8-difluoro-1,2,3,4-tetrahydro-naphthalen-2-ylamino)-pentanoic acid methyl ester
[5724-76-5]C7H9NO4
3-(2,5-Dioxopyrrolidin-1-yl)propionic acid

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P260, P261, P264, P270, P272, P280, P301+P312, P301+P330+P331, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P330, P332+P313, P333+P313, P362, P363, P405, and P501
Signal Word:	Danger

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PMID	Publication Date	Title	Journal
22802135	20121001	A chemical proteomics approach reveals Hsp27 as a target for proapoptotic clerodane diterpenes	Molecular bioSystems
22907920	20120924	Absolute stereochemical determination of chiral carboxylates using an achiral molecular tweezer	Chemistry (Weinheim an der Bergstrasse, Germany)
22440050	20120601	Diaminododecane-based cationic bolaamphiphile as a non-viral gene delivery carrier	Biomaterials
21907525	20111101	Synthesis, cytotoxicity, and in vitro antileishmanial activity of mono-t-butyloxycarbonyl-protected diamines	Diagnostic microbiology and infectious disease
21190372	20110303	Molecular recognition of melamine by vesicles spontaneously formed from orotic acid derived bolaamphiphiles	The journal of physical chemistry. B

Complexity:	82.3
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.225248902
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	2
Isotope Atom Count:	0
Monoisotopic Mass:	200.225248902
Rotatable Bond Count:	11
Topological Polar Surface Area:	52 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3