AG00069F

102-83-0 | 1,3-Propanediamine, N1,N1-dibutyl-

AG00069F

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CAS Number	102-83-0
Catalog Number	AG00069F(AGN-PC-0JK5XI)
Chemical Name	1,3-Propanediamine, N1,N1-dibutyl-
EC Number	203-059-2
IUPAC Name	N',N'-dibutylpropane-1,3-diamine
InChI	InChI=1S/C11H26N2/c1-3-5-9-13(10-6-4-2)11-7-8-12/h3-12H2,1-2H3
InChI Key	KYCGURZGBKFEQB-UHFFFAOYSA-N
MDL Number	MFCD00008219
Molecular Formula	C11H26N2
Molecular Weight	186.3375
SMILES	NCCCN(CCCC)CCCC
UNII	3SFY0J0731
Synonyms	102-83-0, 3-(Dibutylamino)propylamine, N,N-Dibutyl-1,3-propanediamine, N1,N1-Dibutylpropane-1,3-diamine, N,N-Dibutyltrimethylenediamine, 3-(Di-n-butylamino)propylamine, N,N-Dibutylaminopropylamine, (3-Aminopropyl)Dibutylamine, 1,3-PROPANEDIAMINE, N,N-DIBUTYL-, 3-Aminopropyldibutylamine, 1,3-Propanediamine, N1,N1-dibutyl-, NSC 6333, UNII-3SFY0J0731, EINECS 203-059-2, BRN 0635829, AI3-25437, 3-(Dibutylamino)-n-propylamine, N,N-Dibutyl-1,3-diaminopropane, KYCGURZGBKFEQB-UHFFFAOYSA-N, 3SFY0J0731, N,N-di-n-Butyl-1,3-propanediamine, 3-(di-Normal-butylamino)-propylamine, MFCD00008219, 1, N,N-dibutyl-, WLN: Z3N4 & 4, NSC6333, dibutylaminopropylamine, ACMC-1BODL, rarechem al bw 1134, 3-dibutylaminopropylamine, AC1L1BVF, 3-aminopropyl-dibutyl-amine, AC1Q2WT9, 4-04-00-01262 (Beilstein Handbook Reference), SCHEMBL181644, CHEMBL534299, Jsp000310, 3-(Dibutylamino)-1-propylamine, DTXSID8059261, CTK3J0295, KS-00000GPV, NSC7777, 3-(Dibutylamino)propylamine, 98%, N',N'-dibutylpropane-1,3-diamine, NSC-6333, NSC-7777, ZINC1693407, ANW-14751, SBB058839, n,n-di-n-butyl-1,3-propylenediamine, AKOS009158401, N,N'-di-n-Butyl-1,3-propanediamine, MCULE-9065429379, RTR-000668, VZ36395, TRA-0191192, AJ-30201, AK113808, L373, LS-119799, TR-000668, D1078, FT-0629445, ST24031445, ST45255401, I05-0202, J-000811, N,3-propanediamine, 3-aminopropyldibutylamin, 3-amino-propyl-dibutyl-amine, C11H26N2, CID1626, C11-H26-N2, 1187-33-3,

Complexity	86.1
Compound Is Canonicalized	Yes
Covalently-Bonded Unit Count	1
Defined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Exact Mass	186.21g/mol
Formal Charge	0
Heavy Atom Count	13
Hydrogen Bond Acceptor Count	2
Hydrogen Bond Donor Count	1
Isotope Atom Count	0
Molecular Weight	186.343g/mol
Monoisotopic Mass	186.21g/mol
Rotatable Bond Count	9
Topological Polar Surface Area	29.3A^2
Undefined Atom Stereocenter Count	0
Undefined Bond Stereocenter Count	0
XLogP3	2.2

GHS Hazard and Precautionary Statements

Symbol:
Hazard Class	8(6.1)
Hazard statements	H302-H311-H314
Packing Group	Ⅲ
Precautionary statements	P280-P305+P351+P338-P310
UN Code	UN 2922

Certificate of Analysis

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