(1R,4R)-2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane, 95%

Name: (1R,4R)-2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane
Brand: Chempure
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CAS Number

1073556-32-7

Molecular Weight

126.20

Formula

C7H14N2

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IUPAC name	(1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane
inchi	InChI=1S/C7H14N2/c1-2-9-5-6-3-7(9)4-8-6/h6-8H,2-5H2,1H3/t6-,7-/m1/s1
inchi key	JHJSEBFGEBLLQN-RNFRBKRXSA-N
molecular formula	C7H14N2
synonyms	(1R,4R)-2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane 1073556-32-7 (1R,4R)-2-ethyl-2,5-diazabicyclo[2.2.1]heptane MFCD19237471 SCHEMBL272059

Computed Properties

Molecular Weight:	126.20 g/mol
XLogP3:	0.2
Hydrogen Bond Donor Count:	1
Hydrogen Bond Acceptor Count:	2
Rotatable Bond Count:	1
Exact Mass:	126.115698455 g/mol
Monoisotopic Mass:	126.115698455 g/mol
Topological Polar Surface Area:	15.3 Å²
Heavy Atom Count:	9
Formal Charge:	0
Complexity:	114
Isotope Atom Count:	0
Defined Atom Stereocenter Count:	2
Undefined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
Covalently-Bonded Unit Count:	1
Compound Is Canonicalized:	Yes

hazard signal	Danger
hazard classes and categories	Flam. Liq. 4 (50%) Acute Tox. 4 (50%) Skin Irrit. 2 (100%) Eye Dam. 1 (50%) Eye Irrit. 2A (50%) STOT SE 3 (100%)
precautionary statement codes	P210, P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P337+P317, P362+P364, P370+P378, P403, P403+P233, P405, and P501
hazard statements	H227 (50%): Combustible liquid [Warning Flammable liquids] H302 (50%): Harmful if swallowed [Warning Acute toxicity, oral] H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation] H318 (50%): Causes serious eye damage [Danger Serious eye damage/eye irritation] H319 (50%): Causes serious eye irritation [Warning Serious eye damage/eye irritation] H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

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Product No: EB5484

(1R,4R)-2-Ethyl-2,5-diaza-bicyclo[2.2.1]heptane, 95%

Product No: EB5484

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