Dimethylcarbamoyl chloride - Moligand™,≥97% , CAS No.79-44-7

CAS: 79-44-7 Cat. No.: D106525 Peso molecular: 107.54 Beilstein Registry Number: 878197 Número EC: 201-208-6

GRADE & PURITY Moligand™, ≥97%

Synonyms

C19175 | ClC(O)N(CH3)2 | F0001-2079 | NCGC00258886-01 | Chlorid kyseliny dimethylkarbaminove [Czech] | N,N-Dimethylcarbamidoyl chloride | dimethyl carbamoylchloride | Dimethylchloroformamide | RCRA waste no. U097 | NSC 122671 | Q2563907 | UNII-5D54S95GT6

Storage

Room temperature,Argon charged

Shipped In

FedEx DG Service

Specifications

Sinónimos

C19175 | ClC(O)N(CH3)2 | F0001-2079 | NCGC00258886-01 | Chlorid kyseliny dimethylkarbaminove [Czech] | N, N-Dimethylcarbamidoyl chloride | dimethyl carbamoylchloride | Dimethylchloroformamide | RCRA waste no. U097 | NSC 122671 | Q2563907 | UNII-5D54S95GT6

Especificaciones y pureza

Moligand™, ≥97%

Condiciones de almacenamiento de almacenamiento

Room temperature, Argon charged

Enviado en

FedEx DG Service

Este producto requiere envío en cadena de frío. Los servicios terrestres y otros servicios económicos no están disponibles.

Grado

Moligand™

Pureza

≥97%

Nombres e identificadores

• Sonrisas canónicas: CN(C)C(=O)Cl
• IUPAC Name: N,N-dimethylcarbamoyl chloride
• InChIKey: YIIMEMSDCNDGTB-UHFFFAOYSA-N
• INCHI: 1S/C3H6ClNO/c1-5(2)3(4)6/h1-2H3
• Isómeros SMILES: CN(C)C(=O)Cl
• WGK Alemania: 3
• RTECS: FD4200000
• Número ONU: 2262
• Grupo de embalaje: II
• Peso molecular: 107.54
• Beilstein: 878197
• Reaxy-Rn: 878197
• Reaxys-RN_link_address: https://www.reaxys.com/reaxys/secured/hopinto.do?context=S&query=IDE.XRN=878197&ln=

Taxonomic Classification

Taxonomy Tree

• Kingdom Organic compounds
  • Superclass Organic acids and derivatives
    • Clase Carboxylic acids and derivatives
      • Subclass Amino acids, peptides, and analogues
        • Level5 Amino acids and derivatives
          • Level6 Carbamic acids and derivatives
            • Level7 Carbamic acid halides

• Kingdom: Organic compounds
• Superclass: Organic acids and derivatives
• Clase: Carboxylic acids and derivatives
• Subclass: Amino acids, peptides, and analogues
• Intermediate Tree Nodes: Amino acids and derivatives - Carbamic acids and derivatives
• Direct Parent: Carbamic acid halides
• Alternative Parents: Organic carbonic acids and derivatives Organopnictogen compounds Organonitrogen compounds Organochlorides Organic oxides Hydrocarbon derivatives Carbonyl compounds
• Molecular Framework: Aliphatic acyclic compounds
• Substituents: Carbonic acid derivative - Carbamic acid halide - Organic nitrogen compound - Organic oxygen compound - Organopnictogen compound - Organic oxide - Hydrocarbon derivative - Organooxygen compound - Organonitrogen compound - Organochloride - Organohalogen compound - Carbonyl group - Aliphatic acyclic compound
• Descripción: This compound belongs to the class of organic compounds known as carbamic acid halides. These are compounds containing a carbamic acid derivative linked to a halogen atom.
• External Descriptors: halide

Data sources

1. Djoumbou Feunang Y, Eisner R, Knox C, Chepelev L, Hastings J, Owen G, Fahy E, Steinbeck C, Subramanian S, Bolton E, Greiner R, and Wishart DS. ClassyFire: Automated Chemical Classification With A Comprehensive, Computable Taxonomy. Journal of Cheminformatics, 2016, 8:61.

DOI: 10.1186/s13321-016-0174-y

Objetivos asociados (humanos)

TSHR Tclin Thyroid stimulating hormone receptor (29986 Activities)

Discover Target: TSHR

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

ALDH1A1 Tchem Aldehyde dehydrogenase 1A1 (77053 Activities)

Discover Target: ALDH1A1

Activity Type	Relation	Activity value	Units	Action Type	Journal	PubMed Id	doi	Assay Aladdin ID

Mecanismos de acción

Propiedades químicas y físicas

• Solubilidad: Reacts with water.
• Sensibilidad: Moisture sensitive
• Índice de refracción: 1.454
• Punto de inflamación (°F): 179.6 °F
• Punto de inflamación (°C): 68℃
• Punto de ebullición (°C): 167°C
• Punto de fusión (°C): -33°C
• Peso molecular: 107.540 g/mol
• XLogP3: 0.800
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 107.014 Da
• Monoisotopic Mass: 107.014 Da
• Topological Polar Surface Area: 20.300 Ų
• Heavy Atom Count: 6
• Formal Charge: 0
• Complexity: 61.800
• Isotope Atom Count: 0
• Defined Atom Stereocenter Count: 0
• Undefined Atom Stereocenter Count: 0
• Defined Bond Stereocenter Count: 0
• Undefined Bond Stereocenter Count: 0
• The total count of all stereochemical bonds: 0
• Covalently-Bonded Unit Count: 1

Referencias

1. Zhixin Chen, Jiaying Yu, Kai Sun, Jia Song, Lucheng Chen, Yong Jiang, Zhifei Wang.  (2022)  Rational design of a turn-on near-infrared fluorescence probe for the highly sensitive and selective monitoring of carboxylesterase 2 in living systems.  ANALYST,  148  (4): (876-887).  [PMID:36661088] [10.1039/D2AN01874H]

2. Lucheng Chen, Jiaying Yu, Qi Liu, Jiaxing Han, Daoxiang Su, Zhifei Wang.  (2025)  Synthesis of a Turn-On Isophorone-Based Near-Infrared Fluorescent Probe for Specific Recognition of Carboxylesterase 2 and Bioimaging.  ANALYTICAL LETTERS,      [PMID:] [10.1080/00032719.2025.2481627]

3. Kangyu Zhao, Mengfei Xie, Xin Long, Ping Lan, Zizhe Cai, Yong Wang.  (2025)  Synergistic interaction between maillard reaction product and γ-tocopherol in enhancing the oxidation stability of flaxseed oil.  FOOD RESEARCH INTERNATIONAL,      [PMID:41074373] [10.1016/j.foodres.2025.117140]

4. Huihui Liu, Jie Guo, Wangjing Yin, Hehua Xiong, Ling Chen, Yiling Ruan, Kai Feng, Dan Su, Yi Liu, Xiaolian Sun.  (2025)  Dual-Locked Nanophotosensitizer Harnessing Cerenkov Radiation for Deep Tumor Therapy.  JOURNAL OF MEDICINAL CHEMISTRY,      [PMID:41070728] [10.1021/acs.jmedchem.5c02387]