AG001FAM

147927-61-5 | Bicyclo[1.1.1]pentane-1,3-diamine, hydrochloride (1:2)

AG001FAM

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CAS Number	147927-61-5
Catalog Number	AG001FAM(AGN-PC-0Q12M4)
Chemical Name	Bicyclo[1.1.1]pentane-1,3-diamine, hydrochloride (1:2)
IUPAC Name	bicyclo[1.1.1]pentane-1,3-diamine;dihydrochloride
InChI	InChI=1S/C5H10N2.2ClH/c6-4-1-5(7,2-4)3-4;;/h1-3,6-7H2;2*1H
InChI Key	LBZWAZRHOPVPHB-UHFFFAOYSA-N
MDL Number	MFCD27976569
Molecular Formula	C5H12Cl2N2
Molecular Weight	171.0682
SMILES	NC1(C2)CC2(N)C1.[H]Cl.[H]Cl
Synonyms	bicyclo[1.1.1]pentane-1,3-diamine dihydrochloride, 147927-61-5, Bicyclo[1.1.1]pentane-1,3-diamine 2HCl, Bicyclo[1.1.1]pentane-1,3-diamine, dihydrochloride, CS-WAA0310, KS-000006YW, MFCD27976569, AKOS025290120, GS-8004, SB20153, AK172227, OR312113, Bicyclo[1.1.1]pentane-1,3-diamine diHCl, N-1016, Bicyclo[1.1.1]pentane-1,3-diamine, hydrochloride (1:2),

Complexity	79.2
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	3
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	170.038g/mol
Formal Charge	0
Heavy Atom Count	9
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	4
Isotope Atom Count	0
Molecular Weight	171.065g/mol
Monoisotopic Mass	170.038g/mol
Rotatable Bond Count	0
Topological Polar Surface Area	52A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class
Hazard statements	H302-H315-H319-H335
Packing Group
Precautionary statements	P261-P305+P351+P338
UN Code

Certificate of Analysis

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