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Basic Information
CAS No.: 2697-61-2
Name: selenocystamine
Article Data: 12
Molecular Structure:
Molecular Structure of 2697-61-2 (selenocystamine)
Formula:  C4H12 N2 Se2
Molecular Weight: 246.073
Synonyms: Ethylamine,2,2'-diselenobis- (6CI,8CI);Bis(2-aminoethyl) diselenide;NSC 308820;Selenocystamine;
Density: g/cm3
Boiling Point: 327.9°Cat760mmHg
Flash Point: 152.1°C
PSA: 52.04000
LogP: 0.46440
Synthetic route
870-24-6

2-chloroethanamine hydrochloride

2697-61-2

selenocystamine

Conditions
ConditionsYield
With disodium diselenide In tetrahydrofuran; water at 20℃;73%

C14H28N2O4Se2*2C2HF3O2

2697-61-2

selenocystamine

Conditions
ConditionsYield
Alkaline conditions;68%
112349-96-9

N,N'-(3,4-diselena-hexanediyl)-bis-phthalamic acid

2697-61-2

selenocystamine

Conditions
ConditionsYield
With hydrogenchloride at 180℃;
6474-42-6

N,N'-dibenzoylselenocystamine

2697-61-2

selenocystamine

Conditions
ConditionsYield
With hydrogenchloride In ethanol
2697-60-1

2-Amino-ethan-selenoschwefelsaeure

2697-61-2

selenocystamine

Conditions
ConditionsYield
With hydrogenchloride
With sodium hydroxide
With hydrogen sulfide In water
2576-47-8

2-bromoethylamine hydrobromide

2697-61-2

selenocystamine

Conditions
ConditionsYield
With methanol; selenium; magnesium
7647-01-0

hydrogenchloride

112349-96-9

N,N'-(3,4-diselena-hexanediyl)-bis-phthalamic acid

A

2697-61-2

selenocystamine

B

88-99-3

benzene-1,2-dicarboxylic acid

Conditions
ConditionsYield
at 180℃;
7782-49-2

selenium

870-24-6

2-chloroethanamine hydrochloride

A

2697-61-2

selenocystamine

B

27974-50-1

bis(2-aminoethyl) selenoether

Conditions
ConditionsYield
Stage #1: selenium With sodium tetrahydroborate; C12H18O12Pb3 In water at 20℃; for 1.33333h;
Stage #2: 2-chloroethanamine hydrochloride With sodium hydroxide In water at 20℃; for 17h;
74178-32-8

C2H6NSe(1-)

hemiselenocystamine

2697-61-2

selenocystamine

Conditions
ConditionsYield
at 25℃; pH=7; Kinetics; aq. buffer; Inert atmosphere;
21681-94-7

2-aminoethaneselenol

60-23-1

Cysteamine

A

2697-61-2

selenocystamine

B

51-85-4

2,2'-dithio-bis[ethylamine]

C

hemiselenocystamine

Conditions
ConditionsYield
With air pH=7;
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Specification

The Ethanamine,2,2'-diselenobis-, with the cas registry number 2697-61-2, has the systematic name of  2,2'-diselane-1,2-diyldiethanamine and its IUPAC name of 2-(2-aminoethyldiselanyl)ethanamine. This chemical is usually applied in the pharmaceutic intermediates.

The characteristics of this chemical are as follows: (1)ACD/LogP: 1.26; (2)ACD/LogD (pH 5.5): -2.83; (3)ACD/LogD (pH 7.4): -1.06; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 1; (8)#H bond acceptors: 2; (9)#H bond donors: 4; (10)#Freely Rotating Bonds: 7; (11)Polar Surface Area: 6.48; (12)Flash Point: 152.1 °C; (13)Enthalpy of Vaporization: 57.02 kJ/mol; (14)Boiling Point: 327.9 °C at 760 mmHg; (15)Vapour Pressure: 0.000196 mmHg at 25°C; (16)Covalently-Bonded Unit Count: 1; (17)Exact Mass: 247.933092; (18)MonoIsotopic Mass: 247.933092; (19)Topological Polar Surface Area: 52; (20)Heavy Atom Count: 8; (21)Formal Charge: 0; (22)Complexity: 37.

Additionally, the following datas could be converted into the molecular structure:
(1)SMILES:[Se]([Se]CCN)CCN
(2)InChI:InChI=1/C4H12N2Se2/c5-1-3-7-8-4-2-6/h1-6H2
(3)InChIKey:QNGIKJLVQNCRRC-UHFFFAOYAO
(4)Std. InChI:InChI=1S/C4H12N2Se2/c5-1-3-7-8-4-2-6/h1-6H2