Iminodiacetonitrile - CAS 628-87-5

Catalog:	BB031867
Product Name:	Iminodiacetonitrile
CAS:	628-87-5
Synonyms:	2-(cyanomethylamino)acetonitrile; 2-(cyanomethylamino)acetonitrile

Technical Data

Safety and Hazards

Patents

Literatures

Computed Properties

IUPAC Name:	2-(cyanomethylamino)acetonitrile
Description:	Iminodiacetonitrile (CAS# 628-87-5) is a useful research chemical compound.
Molecular Weight:	95.10
Molecular Formula:	C4H5N3
Canonical SMILES:	C(C#N)NCC#N
InChI:	InChI=1S/C4H5N3/c5-1-3-7-4-2-6/h7H,3-4H2
InChI Key:	BSRDNMMLQYNQQD-UHFFFAOYSA-N
Boiling Point:	337.5 °C at 760 mmHg
Density:	1.054 g/cm³
Appearance:	Tan to light brown odorless crystals
MDL:	MFCD00001887
LogP:	0.01406

Publication Number	Title	Priority Date
CN-113373712-A	Salt-resistant soaping agent for ultralow bath ratio and soaping process thereof	20210625
CN-113336684-A	Production process and production system of methionine and methionine hydroxy analogue	20210609
CN-113292453-A	Continuous crystallization process of iminodiacetonitrile	20210604
CN-113200882-A	Glycine crystallization method without alcohol precipitation	20210430
CN-113087216-A	Garden sewage treatment process	20210424

PMID	Publication Date	Title	Journal
22441427	20120101	Biosynthesis of iminodiacetic acid from iminodiacetonitrile by immobilized recombinant Escherichia coli harboring nitrilase	Journal of molecular microbiology and biotechnology
21567989	20110501	A novel synthesis of iminodiacetic acid: biocatalysis by whole Alcaligenes faecalis ZJB-09133 cells from iminodiacetonitrile	Biotechnology progress
21579446	20100515	N,N-Bis(cyano-meth-yl)nitrous amide	Acta crystallographica. Section E, Structure reports online

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Related Functional Groups

Nitrogen Compounds

[1427004-19-0]
DBCO-PEG4-NHS ester
[32894-07-8]
Benzyl thioacetimidate hydrochloride
[937273-31-9]
2-[(Allyloxy)methyl]-1-(2-chloroethoxy)-4-nitrobenzene
[1281984-38-0]
1-Cyclopentyl-3,5-dinitro-1H-pyrazole
[1243387-55-4]
1-Cyclopropoxy-3-nitro-5-(trifluoromethyl)benzene
[78056-67-4]
2-(1-Benzyl-4-piperidyl)acetonitrile

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P270, P271, P273, P280, P301+P312, P302+P352, P304+P312, P304+P340, P305+P351+P338, P312, P321, P322, P330, P332+P313, P337+P313, P362, P363, P403+P233, P405, and P501
Signal Word:	Warning

Complexity:	104
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	95.048347172
Formal Charge:	0
Heavy Atom Count:	7
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	95.048347172
Rotatable Bond Count:	2
Topological Polar Surface Area:	59.6 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	-0.6