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化工社化工社 化学情報印刷レポート · 研究参考用
HCID 1647作成日：2026年10月27日

3-Aminopropionitrile

https://huagongshe.com/ja/chemical/1647

3-Aminopropionitrile の分子構造式

識別子と物理属性

CAS No.151-18-8
分子式C3H6N2
平均分子量70.09 g/mol
単同位体質量70.0530982 g/mol
SMILESN#CCCN
InChIKeyAGSPXMVUFBBBMO-UHFFFAOYSA-N
PubChem CID1647
ChEMBLCHEMBL1618272
ChEBICHEBI:27413
EC No.205-786-0
DTXSIDDTXSID6048418

化学・物理的性質

XLogP-1
極性表面積49.8
水素結合供与体数1
水素結合受容体数2
回転可能結合数1
重原子数5
形式電荷0
複雑度49
臭いAmine odorアミン臭
密度0.9584 @ 20 °C0.9584 g/cm3
Color/FormLiquid
沸点185 °C @ 760 mm Hg185°C
DecompositionWhen heated to decomposition it emits toxic fumes of CN- and NOx /cyanides and nitrogen oxides/.
融点< 25 °C<25 °C
Polymerization... It polymerizes to an explosive yellow solid.In contact with ambient air, it polymerizes slowly, but rapidly in contact with acidic materials.
蒸気圧2 mm Hg @ 38-40 °C
屈折率Index of refraction: 1.4396 @ 20 °C/D
Physical DescriptionLiquid with an amine odor[Merck Index][MSDSonline]Solid
Stability/Shelf LifePOLYMERIZATION TAKES PLACE SLOWLY DURING STORAGE IN AN OPEN CONTAINER, OR VERY RAPIDLY IN PRESENCE OF ACID OR ACIDIC COMPDEasily oxidized and unstable.
Kovats Retention Index789
pKa（酸解離定数）7.14±0.10(Predicted)
外観・状態液体

安全性と法規制

GHS 分類DangerH302 (91.7%): Harmful if swallowed [Warning Acute toxicity, oral]H314 (20.8%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]H361 (93.8%): Suspected of damaging fertility or the unborn child [Warning Reproductive toxicity]P203, P260, P264, P270, P280, P301+P317, P301+P330+P331, P302+P361+P354, P304+P340, P305+P354+P338, P316, P318, P321, P330, P363, P405, and P501 (click each P-code to see the statement)Aggregated GHS information provided per 48 reports by companies from 7 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.Information may vary between notifications depending on impurities, additives, and other factors. The percentage value in parenthesis indicates the notified classification ratio from companies that provide hazard codes. Only hazard codes with percentage values above 10% are shown. For more detailed information, please visit ECHA C&L website.
規制情報Chemical: Propanenitrile, 3-amino-
有害性の概要A corrosive substance that can cause injury to the skin, eyes, and respiratory tractInhalation may cause chemical pneumonitisCan be absorbed through skin[MSDSonline] See NITRILES.
Special ReportsLATHYRISM ENCOMPASSES 2 ENTITIES: NEUROLATHYRISM IN A VARIETY OF ANIMALS, & OSTEOLATHYRISM OBSERVED MAINLY IN RATS & TURKEYS. BETA-AMINOPROPIONITRILE WAS IDENTIFIED AS INDUCER OF OSTEOLATHYRISM.[BARROW MV ET ALLATHYRISM: A REVIEWQ REV BIOL 49(2) 101 (1974)]THE EFFECT OF CHRONIC BAPN INTOXICATION ON THE PERIODONTIUM OF THE RAT. A LIGHT MICROSCOPIC AND HISTOCHEMICAL STUDY WITH REVIEW OF THE LITERATURE.[BADEN E, BOUISSOU HTHE EFFECT OF CHRONIC BETA-AMINOPROPIONITRILE INTOXICATION ON THE PERIODONTIUM OF THE RAT. A LIGHT MICROSCOPIC AND HISTOCHEMICAL STUDY WITH REVIEW OF THE LITERATUREORAL SURG 55(1) 34 (1983)]
Hazard Classes and CategoriesAcute Tox. 4 (91.7%)Skin Corr. 1C (20.8%)Repr. 2 (93.8%)
Explosive Limits and PotentialA storage hazardit polymerizes to an explosive yellow solid.
Hazardous Reactivities and IncompatibilitiesEasily oxidized and unstable.
保管条件PURE, ANHYDROUS MATERIAL MAY BE STORED IN TIGHTLY STOPPERED BOTTLES FOR SEVERAL MONTHS. STORING UNDER REFRIGERATION IS RECOMMENDED TO AVOID DEVELOPMENT OF PRESSURE IN BOTTLES.A bottle of uninhibited distilled material exploded after shelf storage for several months. It may be stored for several months out of contact with air under refrigeration.
処分方法SRP: At the time of review, criteria for land treatment or burial (sanitary landfill) disposal practices are subject to significant revision. Prior to implementing land disposal of waste residue (including waste sludge), consult with environmental regulatory agencies for guidance on acceptable disposal practices.
TreatmentAntidotes to cyanide poisoning include hydroxocobalamin and sodium nitrite, which release the cyanide from the cytochrome system, and rhodanase, which is an enzyme occurring naturally in mammals that combines serum cyanide with thiosulfate, producing comparatively harmless thiocyanate. Oxygen therapy can also be administered. (L97)
相互作用USE OF BAPN (1 G/KG/DAY) FOR PERIOD OF 8 WK CAUSED SIMULTANEOUS CHANGES IN SKIN & AORTIC CONNECTIVE TISSUES OF RATS. IN SKIN, COLLAGEN TISSUE WAS DISLOCATED & BROKEN INTO FRAGMENTS, ELASTIC TISSUE DISAPPEARED & FIBROBLASTS WERE VACUOLIZED. ADDITION OF PYRIDINOL CARBAMATE (PDC) TO BAPN PREVENTS FORMATION OF LESIONS OF ELASTIC TISSUE & OF FIBROBLASTS. WHEN GIVEN AFTER CESSATION OF LATHYROGEN TREATMENT, PDC ARRESTED FORMATION OF LESIONS & ACCELERATED THEIR REGRESSION.A DOSE OF 2,500 MG/KG BAPN GIVEN BY GAVAGE ON DAY 11 TO PREGNANT HAMSTERS PRODUCED 69.5% SKELETAL ANOMALIES IN THE OFFSPRING. ADMINISTRATION OF BETA-HYDROXYETHYLRUTOSIDES (WHICH PROTECT AGAINST COLLAGEN DAMAGE FROM LATHYROGENS) IMMEDIATELY AFTER BAPN TO THE PREGNANT ANIMALS RESULTED IN SIGNIFICANTLY DECREASED TERATOGENIC RESPONSE. THIS SUPPORTS THE VIEW THAT THE MECHANISM FOR BAPN-INDUCED SKELETAL DYSMORPHOGENESIS IS THE INHIBITION OF CROSS-LINKING DURING THE MATURATION OF COLLAGEN FIBERS.
健康影響Exposure to high levels of cyanide for a short time harms the brain and heart and can even cause coma, seizures, apnea, cardiac arrest and death. Chronic inhalation of cyanide causes breathing difficulties, chest pain, vomiting, blood changes, headaches, and enlargement of the thyroid gland. Skin contact with cyanide salts can irritate and produce sores. (L96, L97)
有害作用Other Poison - Chemical AsphyxiantDermatotoxin - Skin burns.Toxic Pneumonitis - Inflammation of the lungs induced by inhalation of metal fumes or toxic gases and vapors.
暴露経路Oral (L96)inhalation (L96)dermal (L96)
毒性の概要Organic nitriles decompose into cyanide ions both in vivo and in vitro. Consequently the primary mechanism of toxicity for organic nitriles is their production of toxic cyanide ions or hydrogen cyanide. Cyanide is an inhibitor of cytochrome c oxidase in the fourth complex of the electron transport chain (found in the membrane of the mitochondria of eukaryotic cells). It complexes with the ferric iron atom in this enzyme. The binding of cyanide to this cytochrome prevents transport of electrons from cytochrome c oxidase to oxygen. As a result, the electron transport chain is disrupted and the cell can no longer aerobically produce ATP for energy. Tissues that mainly depend on aerobic respiration, such as the central nervous system and the heart, are particularly affected. Cyanide is also known produce some of its toxic effects by binding to catalase, glutathione peroxidase, methemoglobin, hydroxocobalamin, phosphatase, tyrosinase, ascorbic acid oxidase, xanthine oxidase, succinic dehydrogenase, and Cu/Zn superoxide dismutase. Cyanide binds to the ferric ion of methemoglobin to form inactive cyanmethemoglobin. (L97)
Signs and SymptomsCyanide poisoning is identified by rapid, deep breathing and shortness of breath, general weakness, giddiness, headaches, vertigo, confusion, convulsions/seizures and eventually loss of consciousness. (L96, L97)
Natural Pollution Sources...HAS BEEN ISOLATED FROM SEEDS OF L ODORATUS... /IT/ EXISTS IN THE PLANT AS BETA-(GAMMA-L-GLUTAMYL)AMINOPROPIONITRILE, & IS ALSO FOUND IN L ROSEUS & L HIRSUTUS.
Human Toxicity Excerpts... Its glutamyl derivative ... /is/ probable causative factor in toxicity of sweet peas.
Carcinogen ClassificationNo indication of carcinogenicity to humans (not listed by IARC).
Non-Human Toxicity ExcerptsCRYSTALLINE SUBSTANCE...ISOLATED FROM SEEDS OF L ODORATUS WHICH...PRODUCE SYNDROME OF LATHYRISM IN RATS...HAS BEEN IDENTIFIED AS BETA-AMINOPROPIONITRILE.IN VITRO IN OX CORNEA IT HAS INHIBITED INCORPORATION OF RADIOACTIVE SULFATE INTO ACID MUCOPOLYSACCHARIDES, BUT HAS CAUSED NO ELUTION OF MUCOPOLYSACCHARIDES OR COLLAGEN. ... IN RATS IT HAS FAILED TO INDUCE RETINAL ANGIOPATHY.In young rats, and various avian species, it produces severe skeletal deformities and aneurysms leading to rupture of aorta. Effective doses to turkey poults may be as low as 0.01% in dietPATHOGENESIS OF FETAL RIB ABNORMALITY WAS STUDIED AT SHORT TIME INTERVALS IN GOLDEN SYRIAN HAMSTERS FOLLOWING MATERNAL TREATMENT WITH 2500 MG/KG ON DAY 11 OF GESTATION. RIBS FROM FETUSES INDICATED SLIGHT DECR IN LEVEL OF GLYCOSAMINOGLYCANS BUT AT TIME WHEN DEFECT WAS ALREADY MORPHOLOGICALLY ESTABLISHED. ULTRASTRUCTURAL OBSERVATIONS OF CHONDROCYTES REVEALED ALTERATIONS IN MITOCHONDRIAL STRUCTURE INDICATIVE OF SLIGHT CYTOTOXIC EFFECT. MITOCHONDRIAL CHANGES WERE TRANSIENT, OCCURRING INITIALLY AT 3 HR AFTER TREATMENT & LASTING FOR 9 HR. MEAN DIAMETER OF COLLAGEN FIBERS IN RIBS OF CONTROL FETUSES INCR THROUGHOUT COURSE OF STUDY, WHILE MEAN DIAMETER OF FIBERS IN FETUSES OF EXPOSED FEMALES FAILED TO SHOW ANY INCR & WAS SIGNIFICANTLY LESS THAN CONTROLS AS EARLY AS 3 HR FOLLOWING MATERNAL ADMIN.For more Non-Human Toxicity Excerpts (Complete) data for BETA-AMINOPROPIONITRILE (14 total), please visit the HSDB record page.
Non-Human Toxicity ValuesLD50 Mouse ip 1152 mg/kg
毒性sce-mus:emb 1250 mg/kg ARTODN 47,305,81