NH-bis(C1-Boc) - CAS 85916-13-8

Name: NH-bis(C1-Boc)
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB037766
Product Name:	NH-bis(C1-Boc)
CAS:	85916-13-8
Synonyms:	Di-tert-butyl iminodiacetate; tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate

Technical Data

IUPAC Name:	tert-butyl 2-[[2-[(2-methylpropan-2-yl)oxy]-2-oxoethyl]amino]acetate
Description:	NH-bis(C1-Boc)is a uncleavable linker used for antibody-drug conjugates (ADC).
Molecular Weight:	245.32
Molecular Formula:	C12H23NO4
Canonical SMILES:	CC(C)(C)OC(=O)CNCC(=O)OC(C)(C)C
InChI:	InChI=1S/C12H23NO4/c1-11(2,3)16-9(14)7-13-8-10(15)17-12(4,5)6/h13H,7-8H2,1-6H3
InChI Key:	SMXMBXPLRFTROI-UHFFFAOYSA-N
Boiling Point:	298 °C at 760 mmHg
Melting Point:	38-42 °C (lit.)
Flash Point:	134.0±23.2 °C
Purity:	> 98.0 %
Density:	1.011 g/cm³
Solubility:	10 mm in DMSO
Appearance:	White to tan powder, fiber or crystals
Storage:	Store at -20 °C, keep in dry and avoid sunlight.
MDL:	MFCD01863672
LogP:	2.72
Vapor Pressure:	0.0±0.6 mmHg at 25°C

GHS Hazard Statement:	H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]
Precautionary Statement:	P261, P264, P271, P280, P302+P352, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
WO-2021113524-A2	Glp2 receptor agonists and methods of use	20191204
WO-2021113535-A1	Peptide conjugates and methods of use	20191204
WO-2021013742-A1	5,8-disubstituted-[1,2,4]triazolo[1,5-a]pyridinyl and 5,8-disubstituted-imidazo[1,2-a]pyridine derivatives useful as inhibitors of enteropeptidase	20190719
WO-2020111280-A1	Nucleic acid complex	20181130
EP-3888663-A1	Nucleic acid complex	20181130

Complexity:	245
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	245.16270821
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	5
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	245.16270821
Rotatable Bond Count:	8
Topological Polar Surface Area:	64.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.6