CAS 1263374-32-8 4-(Aminomethyl)oxane-4-carbonitrile (HCID 55285401)

기본 정보

CAS: 1263374-32-8
표준 SMILES: N#CC1(CN)CCOCC1
InChIKey: WRAFVYHNHMNOCQ-UHFFFAOYSA-N
분자식: C7H12N2O
평균 분자량: 140.18 g/mol
단동위원소 질량: 140.09496301

이름 및 식별자

우선 이름: 4-(Aminomethyl)oxane-4-carbonitrile
IUPAC: 4-(aminomethyl)oxane-4-carbonitrile
현지명: 4-(아미노메틸)테트라히드로-2H-PYRAN-4-탄소니트릴HCL
영어명: 4-(Aminomethyl)tetrahydro-2H-pyran-4-carbonitrile HCl
분자식: C7H12N2O
분자량: 140.18

이름 및 동의어

4-(aminomethyl)oxane-4-carbonitrileRefChem:515098868-192-61263374-32-84-(aminomethyl)tetrahydro-2H-pyran-4-carbonitrileMFCD192159142H-Pyran-4-carbonitrile, 4-(aminomethyl)tetrahydro-SCHEMBL1192219WRAFVYHNHMNOCQ-UHFFFAOYSA-N4-(Aminomethy)oxane-4-carbonitrile4-(aminomethyl)-tetrahydro-2H-pyran-4-carbonitrile hydrochlorideZB0591

이름 더 보기

4-(아미노메틸)테트라히드로-2H-PYRAN-4-탄소니트릴HCL4-(Aminomethyl)tetrahydro-2H-pyran-4-carbonitrile HCl

AKOS006351608SY156953DB-331740CS-00079294-(aminomethyl)tetrahydropyran-4-carbonitrileEN300-132178F330861

데이터베이스 식별자

CAS: 1263374-32-8
PubChem CID: 55285401
EC Number: 868-192-6

물성

구조 계산 물성

XLogP: -0.8
극성 표면적: 59 Å²
수소 결합 공여자 수: 1
수소 결합 수용자 수: 3
회전 가능 결합 수: 1
무거운 원자 수: 10
형식 전하: 0
복잡도: 152

물리화학적 성질

끓는 점: 281 · 281.0±25.0 °C(Predicted)
밀도: 1.07 · 1.07±0.1 g/cm3(Predicted)
저장 조건: 2 · 2-8°C, protect from light
산도 계수 (pKa): 10.01 · 10.01±0.29(Predicted)

안전 및 규제

GHS 분류

GHS Classification · 5건

Danger

H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]；H312 (100%): Harmful in contact with skin [Warning Acute toxicity, dermal]；H314 (100%): Causes severe skin burns and eye damage [Danger Skin corrosion/irritation]；H332 (100%): Harmful if inhaled [Warning Acute toxicity, inhalation]；H335 (100%): May cause respiratory irritation [Warning Specific target organ toxicity, single exposure; Respiratory tract irritation]

P260, P261, P264, P270, P271, P280, P301+P317, P301+P330+P331, P302+P352, P302+P361+P354, P304+P340, P305+P354+P338, P316, P317, P319, P321, P330, P362+P364, P363, P403+P233, P405, and P501 (click each P-code to see the statement)

The GHS information provided by 1 company from 1 notification to the ECHA C&L Inventory.