Name: Name:Carbamic acid, (3-aminopropoxy)-, 1,1-dimethylethyl ester (9CI)
Brand: Angene
SKU: AG00BN2S
Rating: 90 (10 reviews)

Carbamic acid, (3-aminopropoxy)-, 1,1-dimethylethyl ester (9CI)

CAS No.:

228245-16-7

Catalog Number:

AG00BN2S

Molecular Formula:

C8H18N2O3

Molecular Weight:

190.2401

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Product Description

Catalog Number:

AG00BN2S

Chemical Name:

Carbamic acid, (3-aminopropoxy)-, 1,1-dimethylethyl ester (9CI)

CAS Number:

228245-16-7

Molecular Formula:

C8H18N2O3

Molecular Weight:

190.2401

MDL Number:

MFCD20701870

IUPAC Name:

tert-butyl N-(3-aminopropoxy)carbamate

InChI:

InChI=1S/C8H18N2O3/c1-8(2,3)13-7(11)10-12-6-4-5-9/h4-6,9H2,1-3H3,(H,10,11)

InChI Key:

OKYUIKBFUVQYSQ-UHFFFAOYSA-N

SMILES:

NCCCONC(=O)OC(C)(C)C

Properties

Complexity:

154

Compound Is Canonicalized:

Yes

Covalently-Bonded Unit Count:

Defined Atom Stereocenter Count:

Defined Bond Stereocenter Count:

Exact Mass:

190.132g/mol

Formal Charge:

Heavy Atom Count:

Hydrogen Bond Acceptor Count:

Hydrogen Bond Donor Count:

Isotope Atom Count:

Molecular Weight:

190.243g/mol

Monoisotopic Mass:

190.132g/mol

Rotatable Bond Count:

Topological Polar Surface Area:

73.6A^2

Undefined Atom Stereocenter Count:

Undefined Bond Stereocenter Count:

XLogP3:

0.4

Literature

Title	Journal
Impact of linker strain and flexibility in the design of a fragment-based inhibitor.	Nature chemical biology 20090601