NH2-C4-NH-Boc

CAT: 0127-BUP19257Size: 1 gDry Ice: NoHazardous: No

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CAT#:0127-BUP19257Size:1 g

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CAS Number

68076-36-8

Purity

=98%

Smiles

C(NCCCCN)(OC(C)(C)C)=O

Chemical Information

tert-butyl N-(4-aminobutyl)carbamate

CAS Number	68076-36-8
PubChem CID	4351
IUPAC Name	tert-butyl N-(4-aminobutyl)carbamate
Molecular Formula	C9H20N2O2
Molecular Weight	188.27
XLogP	0.7
Topological Polar Surface Area	64.4
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Heavy Atom Count	13
Formal Charge	0
Complexity	152

SMILES

CC(C)(C)OC(=O)NCCCCN

InChI

InChI=1S/C9H20N2O2/c1-9(2,3)13-8(12)11-7-5-4-6-10/h4-7,10H2,1-3H3,(H,11,12)

InChIKey

ZFQWJXFJJZUVPI-UHFFFAOYSA-N

Chemical Structure

2D Structure

CAS: 68076-36-8

CID: 4351

Formula: C9H20N2O2

MW: 188.27

Interactive 3D Structure

Loading 3D structure...

Computed Properties

Property	Value
Molecular Weight	188.27
XLogP3	0.7
Hydrogen Bond Donor Count	2
Hydrogen Bond Acceptor Count	3
Rotatable Bond Count	6
Exact Mass	188.152477885
Monoisotopic Mass	188.152477885
Topological Polar Surface Area	64.4 Å²
Heavy Atom Count	13
Formal Charge	0
Complexity	152
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	1
Compound Is Canonicalized	Yes