Triethylborane-1,3-diaminopropane

CAT: 0926-FT178891Size: 250 gDry Ice: NoHazardous: No

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CAT#:0926-FT178891Size:250 g

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CAS Number

148861-07-8

Smiles

B (CC) (CC) CC.C (CN) CN

Molecular Formula

C9H25BN2

Molecular Weight

172.12 g/mol

Controlled

Chemical Information

(T-4)-Triethyl(1,3-propanediamine-kappaN)boron

CAS Number	148861-07-8
PubChem CID	56845282
IUPAC Name	propane-1,3-diamine;triethylborane
Molecular Formula	C9H25BN2
Molecular Weight	172.12
Topological Polar Surface Area	52
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Heavy Atom Count	12
Formal Charge	0
Complexity	38

SMILES

B(CC)(CC)CC.C(CN)CN

InChI

InChI=1S/C6H15B.C3H10N2/c1-4-7(5-2)6-3;4-2-1-3-5/h4-6H2,1-3H3;1-5H2

InChIKey

IJUCBZFJEAVADL-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 148861-07-8

CID: 56845282

Formula: C9H25BN2

MW: 172.12

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	172.12
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	2
Rotatable Bond Count	5
Exact Mass	172.2110790
Monoisotopic Mass	172.2110790
Topological Polar Surface Area	52 Å²
Heavy Atom Count	12
Formal Charge	0
Complexity	38
Isotope Atom Count	0
Defined Atom Stereocenter Count	0
Undefined Atom Stereocenter Count	0
Defined Bond Stereocenter Count	0
Undefined Bond Stereocenter Count	0
Covalently-Bonded Unit Count	2
Compound Is Canonicalized	Yes

Catalog	Name
FD53866-01	1,3-Diaminopropane
FD138906-01	1,2-Diaminopropane
FB50498-01	Boc-N-Me-1,3-diaminopropane
AAA10478-01	N, N-Diethyl-1,3-diaminopropane
FT60841-01	N, N, N', N'-Tetramethyl-1,3-diaminopropane
BAA93936-01	1,3-Diaminopropane-N, N, N2, N2-tetraacetic acid
LCA79804-01	1,3-Diaminopropan-2-one dihydrochloride
CCA39359-01	2,3-Diaminopropan-1-ol dihydrochloride
MDA58494-01	(2S) -2,3-Diaminopropan-1-ol dihydrochloride
MDA58493-01	(2R) -2,3-Diaminopropan-1-ol dihydrochloride

Catalog	Name
MBS3845236-01	1, 3-Diaminopropane
sc-255920	1,3-Diaminopropane
sc-222948	1,3-Diaminopropane dihydrochloride
OR1009187-01	1,3-Diaminopropane Dihydrobromide
OR80576-01	1,3-Diaminopropane Dihydroiodide
sc-214879	Didansyl-1,3-diaminopropane
TRC-D416662-5MG	1,3-Diaminopropane-d6
A20795-100	1,3-Diaminopropane 100mg
D05860	1,3-Diaminopropane 99%
A20795-500	1,3-Diaminopropane 500mg